5O2J
Pseudomonas stutzeri PtxB in complex with phosphite to 1.52 A resolution
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 | 2017-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 113.210, 39.030, 63.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.250 - 1.520 |
| R-factor | 0.16064 |
| Rwork | 0.159 |
| R-free | 0.18847 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.477 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.250 | 1.550 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rpim | 0.039 | 0.607 |
| Number of reflections | 44234 | 2169 |
| <I/σ(I)> | 11.9 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.4 | 10.3 |
| CC(1/2) | 0.999 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | 0.1 M MMT buffer pH 5 25% (w/v) and PEG 1500 |
