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 |