6GHQ
HtxB D206N protein variant from Pseudomonas stutzeri in a partially open conformation to 1.53 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9718 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.810, 118.450, 35.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.430 - 1.530 |
| R-factor | 0.1892 |
| Rwork | 0.188 |
| R-free | 0.21309 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5me4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.463 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.470 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rpim | 0.017 | 0.517 |
| Number of reflections | 45946 | 3342 |
| <I/σ(I)> | 19.1 | 1.4 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 6.7 | 6.1 |
| CC(1/2) | 0.999 | 0.602 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | 0.2 M ammonium sulphate, 0.1 M Bis-Tris pH 5.5 and 25 % (w/v) PEG 3350 |
