4KWE

GDP-bound, double-stranded, curved FtsZ protofilament structure


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP82983M Na formate, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
Crystal Properties
Matthews coefficientSolvent content
3.4864.61

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 132.509α = 90
b = 132.509β = 90
c = 321.549γ = 120
Symmetry
Space GroupP 64 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray200 MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSSRF BEAMLINE BL17U0.9793SSRFBL17U

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
12.95099.80.1340.13465.721.137489374142125.9
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)
12.92.951000.634

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 REPLACEMENTTHROUGHOUT2.9132.953581514961000.242040.240990.26749RANDOM130.301
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]
2.591.292.59-3.88
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.793
r_dihedral_angle_3_deg16.237
r_dihedral_angle_4_deg13.467
r_dihedral_angle_1_deg4.362
r_scangle_it1.129
r_angle_refined_deg0.981
r_mcangle_it0.644
r_scbond_it0.602
r_symmetry_vdw_refined0.377
r_mcbond_it0.366
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.793
r_dihedral_angle_3_deg16.237
r_dihedral_angle_4_deg13.467
r_dihedral_angle_1_deg4.362
r_scangle_it1.129
r_angle_refined_deg0.981
r_mcangle_it0.644
r_scbond_it0.602
r_symmetry_vdw_refined0.377
r_mcbond_it0.366
r_symmetry_hbond_refined0.316
r_nbtor_refined0.291
r_nbd_refined0.184
r_xyhbond_nbd_refined0.113
r_chiral_restr0.059
r_bond_refined_d0.006
r_gen_planes_refined0.002
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 Atoms6371
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms84

Software

Software
Software NamePurpose
HKL-2000data collection
PHASESphasing
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling