4BKR
Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 102.590, 102.590, 84.990 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.580 - 1.798 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zu3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.084 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.580 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.380 |
Number of reflections | 48371 | |
<I/σ(I)> | 17.6 | 4.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 150 MM (NH4)2SO4 25-38% PEG 4000 100 MM MES PH 5.5 |