8QGF
CRYSTAL STRUCTURE OF AS-ISOLATED M148L MUTANT OF THREE-DOMAIN HEME-CU NITRITE REDUCTASE FROM RALSTONIA PICKETTII
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978565 |
| Spacegroup name | H 3 |
| Unit cell lengths | 127.952, 127.952, 86.249 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.660 - 1.320 |
| R-factor | 0.1353 |
| Rwork | 0.134 |
| R-free | 0.16176 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.683 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.660 | 1.340 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.137 | 1.888 |
| Rmeas | 0.152 | 2.124 |
| Rpim | 0.067 | 0.961 |
| Number of reflections | 124091 | 5450 |
| <I/σ(I)> | 6.4 | 0.7 |
| Completeness [%] | 99.4 | 87.9 |
| Redundancy | 5.1 | 4.5 |
| CC(1/2) | 0.995 | 0.265 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M Bis-tris propane pH 6.3, 0.1 M sodium citrate, 25% PEG3350 |
