3H8A

Crystal structure of E. coli enolase bound to its cognate RNase E recognition domain


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
172910.1 M HEPES, 1.6 M NH4SO4, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Crystal Properties
Matthews coefficientSolvent content
2.4349.34

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 103.883α = 90
b = 110.207β = 90
c = 160.267γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARMOSAIC 225 mm CCD2006-07-02MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID23-2ESRFID23-2

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
11.924.8999.31369481.9
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.91.9795.1

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1E9I1.924.8921442551369487228990.180.180.226RANDOM24.46
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]
0.01
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg42.229
r_dihedral_angle_4_deg19.554
r_dihedral_angle_3_deg15.855
r_dihedral_angle_1_deg6.736
r_scangle_it3.86
r_scbond_it2.462
r_angle_refined_deg1.57
r_mcangle_it1.474
r_mcbond_it0.959
r_nbtor_refined0.299
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg42.229
r_dihedral_angle_4_deg19.554
r_dihedral_angle_3_deg15.855
r_dihedral_angle_1_deg6.736
r_scangle_it3.86
r_scbond_it2.462
r_angle_refined_deg1.57
r_mcangle_it1.474
r_mcbond_it0.959
r_nbtor_refined0.299
r_nbd_refined0.212
r_symmetry_vdw_refined0.194
r_xyhbond_nbd_refined0.151
r_symmetry_hbond_refined0.14
r_chiral_restr0.134
r_bond_refined_d0.017
r_gen_planes_refined0.006
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 Atoms13109
Nucleic Acid Atoms
Solvent Atoms1252
Heterogen Atoms2

Software

Software
Software NamePurpose
HKL-2000data collection
X-PLORmodel building
REFMACrefinement
HKL-2000data reduction
SCALEPACKdata scaling
X-PLORphasing