6CWW
Cs H-NOX mutant with unnatural amino acid 4-cyano-L-phenylalanine at site 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.055, 67.129, 57.669 |
| Unit cell angles | 90.00, 105.33, 90.00 |
Refinement procedure
| Resolution | 42.828 - 1.851 |
| R-factor | 0.1947 |
| Rwork | 0.191 |
| R-free | 0.25870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u55 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.978 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12rc2_2821: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.034 | 0.262 |
| Number of reflections | 31078 | 1527 |
| <I/σ(I)> | 25 | 1.9 |
| Completeness [%] | 96.8 | 95.7 |
| Redundancy | 3.2 | 2.9 |
| CC(1/2) | 0.907 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M Ammonium acetate, 0.1 M Hepes pH 7.5, 25% PEG 3350 |
