6GHT
HtxB D206A protein variant from Pseudomonas stutzeri in complex with hypophosphite to 1.12 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 | 2017-12-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.082, 55.241, 125.903 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.640 - 1.120 |
| R-factor | 0.16116 |
| Rwork | 0.160 |
| R-free | 0.18670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5me4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.582 |
| Data reduction software | TRUNCATE |
| Data scaling software | Aimless |
| Phasing software | REFMAC (Directly by refinement.) |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.640 | 1.139 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rpim | 0.027 | 1.590 |
| Number of reflections | 108281 | 5252 |
| <I/σ(I)> | 10.7 | 0.4 |
| Completeness [%] | 99.9 | 98.7 |
| Redundancy | 8.2 | 4.5 |
| CC(1/2) | 0.999 | 0.322 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M Bis-Tris pH 5.5 and 25 % (w/v) PEG 3350 |
