8A3F
Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic tetragonal data at 3.15 A
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 109.724, 109.724, 104.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.707 - 3.150 |
| Rwork | 0.266 |
| R-free | 0.33010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pb3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.718 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.100 | 3.370 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.267 | 3.320 |
| Rpim | 0.115 | 1.335 |
| Number of reflections | 11620 | 2048 |
| <I/σ(I)> | 6.8 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.6 | 12.3 |
| CC(1/2) | 0.994 | 0.457 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 1.26 M Ammonium Sulphate, 100 mM Cacodylate, pH 6.5 at rtp |
