7PB3
Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
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 | 109.041, 109.041, 105.163 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.223 - 2.841 |
| Rwork | 0.251 |
| R-free | 0.32960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6j7c |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.429 |
| Data reduction software | xia2 |
| Data scaling software | STARANISO |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.100 | 3.290 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.112 | 1.877 |
| Rpim | 0.046 | 0.769 |
| Number of reflections | 9545 | 734 |
| <I/σ(I)> | 13.6 | 1.5 |
| Completeness [%] | 89.7 | 68.2 |
| Redundancy | 12.6 | 12.3 |
| CC(1/2) | 0.999 | 0.584 |
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 |
