4D3H
Structure of PstA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-28 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 64.206, 65.655, 85.156 |
| Unit cell angles | 90.00, 95.98, 90.00 |
Refinement procedure
| Resolution | 53.750 - 2.000 |
| R-factor | 0.19056 |
| Rwork | 0.188 |
| R-free | 0.23176 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4DRG |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.823 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.350 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.450 |
| Number of reflections | 23649 | |
| <I/σ(I)> | 9.6 | 2.9 |
| Completeness [%] | 99.2 | 99.8 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 200MM NA MALONATE PH=4.6, 20% PEG3350 |
