Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

5OEQ

Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100
Detector technologyPIXEL
Collection date2014-08-09
DetectorDECTRIS PILATUS 2M
Wavelength(s)0.9795
Spacegroup nameP 1 21 1
Unit cell lengths78.050, 84.320, 81.170
Unit cell angles90.00, 103.67, 90.00
Refinement procedure
Resolution57.600 - 2.250
R-factor0.18745
Rwork0.186
R-free0.21913
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4kw5
RMSD bond length0.012
RMSD bond angle1.628
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]57.6002.310
High resolution limit [Å]2.2502.250
Rmerge0.0730.769
Number of reflections48308
<I/σ(I)>11.22.9
Completeness [%]99.399.1
Redundancy55.1
CC(1/2)0.9970.798
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52910.2 M imidazole, 30 - 35% (v/v) polypropyleneglycol 400

226707

PDB entries from 2024-10-30

PDB statisticsPDBj update infoContact PDBjnumon