5Z8B

Truncated N-acetylglucosaminyl transferase KfiA from E. coli K5 strain apo form


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP293.15PEG 3350
Crystal Properties
Matthews coefficientSolvent content
1.8131.88

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 38.409α = 90
b = 70.862β = 90
c = 147.41γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 210r2009-10-19MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSPRING-8 BEAMLINE BL38B11.0SPring-8BL38B1

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
12.9173.7199.58.93.816958
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.913.08

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT2.9173.71888547199.980.182270.177770.26517RANDOM35.122
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]
0.491.88-2.37
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.75
r_dihedral_angle_4_deg18.126
r_dihedral_angle_3_deg17.431
r_dihedral_angle_1_deg7.196
r_long_range_B_other5.604
r_long_range_B_refined5.603
r_scangle_other3.563
r_mcangle_other3.193
r_mcangle_it3.192
r_scbond_it2.133
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.75
r_dihedral_angle_4_deg18.126
r_dihedral_angle_3_deg17.431
r_dihedral_angle_1_deg7.196
r_long_range_B_other5.604
r_long_range_B_refined5.603
r_scangle_other3.563
r_mcangle_other3.193
r_mcangle_it3.192
r_scbond_it2.133
r_scbond_other2.133
r_mcbond_it1.918
r_mcbond_other1.9
r_angle_refined_deg1.588
r_angle_other_deg0.99
r_chiral_restr0.087
r_bond_refined_d0.011
r_gen_planes_refined0.006
r_bond_other_d0.002
r_gen_planes_other0.001
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3330
Nucleic Acid Atoms
Solvent Atoms40
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
MOLREPphasing