5ME4
The structure of HtxB from Pseudomonas stutzeri in complex with hypophosphite to 1.52 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.240, 55.210, 125.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.800 - 1.520 |
| R-factor | 0.1688 |
| Rwork | 0.167 |
| R-free | 0.19771 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jvb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.453 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.810 | 1.550 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.117 | 1.209 |
| Number of reflections | 42787 | |
| <I/σ(I)> | 9.8 | 1.1 |
| Completeness [%] | 97.7 | 91.3 |
| Redundancy | 7.1 | 6 |
| CC(1/2) | 0.998 | 0.525 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 283 | 0.2 M Sodium/potassium tartrate, 0.1 M Bis-tris propane pH 8.5 and 20 % (w/v) PEG 3350 |
