1E0W

Xylanase 10A from Sreptomyces lividans. native structure at 1.2 angstrom resolution


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
14.6PROTEIN 60MG/ML WAS CRYSTALLISED WITH 5% PEG 4000, 100MM SODIUM ACETATE PH 4.6
Crystal Properties
Matthews coefficientSolvent content
2.244.3

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 70.25α = 90
b = 46.93β = 90
c = 86.39γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray2971997-11-15MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONEMBL/DESY, HAMBURG BEAMLINE X31EMBL/DESY, HAMBURGX31

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
11.215960.05123.64.3849362
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)
11.21.22910.353.43.4

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONOTHERTHROUGHOUT1.215815814292960.0980.124RANDOM
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_transverse_tor27.3
p_staggered_tor11.9
p_scangle_it5.741
p_planar_tor5.2
p_scbond_it4.499
p_mcangle_it3.27
p_mcbond_it2.452
p_multtor_nbd0.24
p_singtor_nbd0.15
p_xyhbond_nbd0.13
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor27.3
p_staggered_tor11.9
p_scangle_it5.741
p_planar_tor5.2
p_scbond_it4.499
p_mcangle_it3.27
p_mcbond_it2.452
p_multtor_nbd0.24
p_singtor_nbd0.15
p_xyhbond_nbd0.13
p_chiral_restr0.098
p_planar_d0.031
p_plane_restr0.028
p_angle_d0.025
p_bond_d0.01
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 Atoms2333
Nucleic Acid Atoms
Solvent Atoms438
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling