5O2K
Native apo-structure of Pseudomonas stutzeri PtxB to 2.1 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.947, 136.640, 90.843 |
| Unit cell angles | 90.00, 115.02, 90.00 |
Refinement procedure
| Resolution | 79.690 - 2.100 |
| R-factor | 0.2386 |
| Rwork | 0.236 |
| R-free | 0.28218 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.521 |
| 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] | 79.750 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rpim | 0.078 | 0.625 |
| Number of reflections | 113030 | 5565 |
| <I/σ(I)> | 6.3 | 1.2 |
| Completeness [%] | 99.9 | 98.7 |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 0.992 | 0.535 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | 0.1 M tri-sodium citrate pH 5.5 and 20 % (w/v) PEG 3000 |
