2NYU

Crystal Structure of Human FtsJ homolog 2 (E.coli) protein in complex with S-adenosylmethionine


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP29720% PEG 3350, 0.2M Potassium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 297K
Crystal Properties
Matthews coefficientSolvent content
2.2244.6

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 102.022α = 90
b = 102.022β = 90
c = 37.068γ = 90
Symmetry
Space GroupP 43

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 42006-10-21MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 17-ID1.00000APS17-ID

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
11.765098.50.0480.04816.26.2377113771133.2
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)
1.761.7999.90.6290.6291.655.51860

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB entry 1EIZ1.7650368893688978498.390.227530.227530.226390.28113RANDOM27.895
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]
-0.26-0.260.51
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg41.223
r_dihedral_angle_4_deg17.308
r_dihedral_angle_3_deg14.338
r_dihedral_angle_1_deg6.43
r_scangle_it3.649
r_scbond_it2.613
r_mcangle_it1.715
r_angle_refined_deg1.473
r_mcbond_it1.169
r_nbtor_refined0.309
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg41.223
r_dihedral_angle_4_deg17.308
r_dihedral_angle_3_deg14.338
r_dihedral_angle_1_deg6.43
r_scangle_it3.649
r_scbond_it2.613
r_mcangle_it1.715
r_angle_refined_deg1.473
r_mcbond_it1.169
r_nbtor_refined0.309
r_nbd_refined0.227
r_symmetry_vdw_refined0.164
r_symmetry_hbond_refined0.158
r_xyhbond_nbd_refined0.149
r_chiral_restr0.119
r_bond_refined_d0.02
r_gen_planes_refined0.01
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2787
Nucleic Acid Atoms
Solvent Atoms201
Heterogen Atoms54

Software

Software
Software NamePurpose
REFMACrefinement
JDirectordata collection
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing