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 |
