X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1FSZ 

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP6.529215 g/L FtsZ, 2 mM MgCl2, 1 mM GDP, 0.1 M MOPS-NaOH, 0.2 M NaCl, 28% (v/v) PEG400, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Crystal Properties
Matthews coefficientSolvent content
1.9135.67

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 43.644α = 90
b = 73.944β = 95.08
c = 43.813γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMAR scanner 345 mm plate2006-08-01MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU1.54

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
11.7300.0460.04616.42.7305322218.3

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (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 REPLACEMENTTHROUGHOUT1FSZ1.72028538148698.340.181040.178650.22691RANDOM16.676
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]
0.030.02-0.01
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg35.445
r_dihedral_angle_4_deg17.746
r_dihedral_angle_3_deg13.433
r_dihedral_angle_1_deg5.759
r_scangle_it4.152
r_scbond_it2.426
r_angle_refined_deg1.418
r_mcangle_it1.32
r_mcbond_it0.852
r_nbtor_refined0.306
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg35.445
r_dihedral_angle_4_deg17.746
r_dihedral_angle_3_deg13.433
r_dihedral_angle_1_deg5.759
r_scangle_it4.152
r_scbond_it2.426
r_angle_refined_deg1.418
r_mcangle_it1.32
r_mcbond_it0.852
r_nbtor_refined0.306
r_nbd_refined0.214
r_symmetry_vdw_refined0.203
r_symmetry_hbond_refined0.187
r_xyhbond_nbd_refined0.14
r_chiral_restr0.087
r_bond_refined_d0.012
r_gen_planes_refined0.005
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 Atoms2449
Nucleic Acid Atoms
Solvent Atoms282
Heterogen Atoms28

Software

Software
Software NamePurpose
REFMACrefinement
MAR345dtbdata collection
MOSFLMdata reduction
SCALAdata scaling
PHASERphasing