1XEI

THE CRYSTAL STRUCTURES OF LYSOZYME AT VERY LOW LEVELS OF HYDRATION


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelOther88% low humidity structure

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
14.6pH 4.6
Crystal Properties
Matthews coefficientSolvent content
1.518.4

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 26.566α = 90
b = 56.032β = 112.2
c = 31.34γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray293AREA DETECTORSIEMENS1992-10-02
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
12.11085.990.03852.711.624569
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.0612.14441.70.09711.761.31

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTA POSTERIORI88% LOW HUMIDITY STRUCTURE2.1104441783.130.1880.265RANDOM22.99
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor23.8
p_transverse_tor11.1
p_planar_tor2
p_mcangle_it1.75
p_scangle_it1.472
p_mcbond_it1.003
p_scbond_it0.872
p_multtor_nbd0.353
p_xyhbond_nbd0.281
p_singtor_nbd0.201
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor23.8
p_transverse_tor11.1
p_planar_tor2
p_mcangle_it1.75
p_scangle_it1.472
p_mcbond_it1.003
p_scbond_it0.872
p_multtor_nbd0.353
p_xyhbond_nbd0.281
p_singtor_nbd0.201
p_chiral_restr0.114
p_planar_d0.041
p_angle_d0.04
p_bond_d0.011
p_plane_restr0.008
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1001
Nucleic Acid Atoms
Solvent Atoms105
Heterogen Atoms

Software

Software
Software NamePurpose
XENGENdata collection
XENGENdata reduction
X-PLORmodel building
X-PLORrefinement
XENGENdata scaling
X-PLORphasing