1RP3

Cocrystal structure of the flagellar sigma/anti-sigma complex, Sigma-28/FlgM


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.527716.2% PEG 8000, 0.09M SODIUM CACODYLATE, 0.18M CALCIUM ACETATE, 3% ISOPROPANOL, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 6.50
Crystal Properties
Matthews coefficientSolvent content
2.8857.25

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 76.388α = 90
b = 119.666β = 107
c = 100.056γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray MMAD

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
12.33099.916760852.526.1
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
2.32.3899.92.7

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 DIFFRACTIONMADTHROUGHOUT2.329.9270618338892.50.2420.2420.262RANDOM50.6
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]
5.8411.35-19.5513.71
RMS Deviations
KeyRefinement Restraint Deviation
c_dihedral_angle_d18.2
c_scangle_it3.59
c_mcangle_it2.67
c_scbond_it2.34
c_mcbond_it1.55
c_improper_angle_d1.3
c_angle_deg1.1
c_bond_d0.008
c_bond_d_na
c_bond_d_prot
RMS Deviations
KeyRefinement Restraint Deviation
c_dihedral_angle_d18.2
c_scangle_it3.59
c_mcangle_it2.67
c_scbond_it2.34
c_mcbond_it1.55
c_improper_angle_d1.3
c_angle_deg1.1
c_bond_d0.008
c_bond_d_na
c_bond_d_prot
c_angle_d
c_angle_d_na
c_angle_d_prot
c_angle_deg_na
c_angle_deg_prot
c_dihedral_angle_d_na
c_dihedral_angle_d_prot
c_improper_angle_d_na
c_improper_angle_d_prot
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms9037
Nucleic Acid Atoms
Solvent Atoms73
Heterogen Atoms

Software

Software
Software NamePurpose
CNSrefinement
REFMACrefinement