4BF5
Structure of broad spectrum racemase from Aeromonas hydrophila
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-06 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.666, 81.850, 78.286 |
Unit cell angles | 90.00, 98.97, 90.00 |
Refinement procedure
Resolution | 42.122 - 1.450 |
R-factor | 0.1929 |
Rwork | 0.192 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4beu |
RMSD bond length | 0.004 |
RMSD bond angle | 0.620 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.100 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.090 | 0.830 |
Number of reflections | 124710 | |
<I/σ(I)> | 12.8 | 2.5 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 7.4 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.5 |