5O37
Pseudomonas stutzeri PtxB in complex with methylphosphonate (MPn) to 1.37 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 | 112.800, 39.120, 63.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.610 - 1.370 |
| R-factor | 0.13893 |
| Rwork | 0.137 |
| R-free | 0.17723 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.500 |
| 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] | 37.610 | 1.390 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rpim | 0.022 | 0.615 |
| Number of reflections | 59851 | 2940 |
| <I/σ(I)> | 16.8 | 1.2 |
| Completeness [%] | 99.9 | 98.8 |
| Redundancy | 11.2 | 7.4 |
| CC(1/2) | 1.000 | 0.485 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 290 | 0.1 M MMT buffer pH 4 and 25 % (w/v) PEG 1500 |
