6EMN
HtxB from Pseudomonas stutzeri in complex with phosphite to 1.25 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 | 2017-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.280, 55.200, 126.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.580 - 1.250 |
| R-factor | 0.14648 |
| Rwork | 0.145 |
| R-free | 0.16992 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5me4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.535 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.620 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rpim | 0.046 | 0.890 |
| Number of reflections | 78831 | 3871 |
| <I/σ(I)> | 9.3 | 1 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5.9 | 4.6 |
| CC(1/2) | 0.998 | 0.403 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | 0.2 M magnesium chloride, 0.1 M Na acetate (pH 5) and 20% PEG 6000. |
