1QWY

Latent LytM at 1.3 A resolution


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP6.7291170 mM ammonium sulfate, 25.5% (w/v) PEG 8K, 15% (v/v) glycerol, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Crystal Properties
Matthews coefficientSolvent content
1.935.31

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 45.332α = 90
b = 53.232β = 104.02
c = 51.603γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100 MMAD
21100
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONBESSY BEAMLINE 14.21.28335BESSY14.2
2ROTATING ANODERIGAKU1.54179

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)R Sym 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
11.31594.050.0620.0626.42.3547335473312.7
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
1.31.3791.10.1740.1743.52.27719

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMADTHROUGHOUT1.3155194551945278193.760.163620.163620.162710.18084RANDOM12.723
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]
0.59-0.44-0.25-0.56
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.262
r_scangle_it3.046
r_scbond_it2.008
r_mcangle_it1.534
r_angle_refined_deg1.317
r_mcbond_it0.827
r_angle_other_deg0.775
r_nbd_other0.257
r_symmetry_vdw_other0.244
r_symmetry_hbond_refined0.207
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.262
r_scangle_it3.046
r_scbond_it2.008
r_mcangle_it1.534
r_angle_refined_deg1.317
r_mcbond_it0.827
r_angle_other_deg0.775
r_nbd_other0.257
r_symmetry_vdw_other0.244
r_symmetry_hbond_refined0.207
r_nbd_refined0.204
r_symmetry_vdw_refined0.186
r_xyhbond_nbd_refined0.133
r_nbtor_other0.086
r_chiral_restr0.083
r_gen_planes_other0.012
r_bond_refined_d0.01
r_gen_planes_refined0.009
r_bond_other_d0.002
r_dihedral_angle_2_deg
r_xyhbond_nbd_other
r_symmetry_hbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1822
Nucleic Acid Atoms
Solvent Atoms354
Heterogen Atoms1

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
CCP4data scaling
MLPHAREphasing