8A4R
Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic orthorhombic data at 3.59 A
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.454, 107.478, 109.052 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.549 - 3.590 |
| Rwork | 0.260 |
| R-free | 0.35990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pb3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.655 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 107.480 | 3.930 |
| High resolution limit [Å] | 3.590 | 3.590 |
| Rmerge | 0.196 | 1.015 |
| Rpim | 0.085 | 0.441 |
| Number of reflections | 14925 | 3496 |
| <I/σ(I)> | 6.4 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.3 | 6.4 |
| CC(1/2) | 0.991 | 0.498 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 1.26 M Ammonium Sulphate, 100 mM Cacodylate, pH 6.5 at rtp |
