9FOM
CRYSTAL STRUCTURE OF AS-ISOLATED F295L MUTANT OF THREE-DOMAIN HEME-CU NITRITE REDUCTASE FROM RALSTONIA PICKETTII
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.8000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 128.257, 128.257, 86.194 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.085 - 1.160 |
| Rwork | 0.114 |
| R-free | 0.13900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.957 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.085 | 1.180 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.088 | 0.993 |
| Rmeas | 0.103 | 1.176 |
| Rpim | 0.052 | 0.619 |
| Total number of observations | 31873 | |
| Number of reflections | 182213 | 9100 |
| <I/σ(I)> | 5.8 | 1 |
| Completeness [%] | 99.5 | |
| Redundancy | 3.6 | 3.5 |
| CC(1/2) | 0.996 | 0.433 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 277 | 100 mM bis-tris propane pH 7.7, 200 mM sodium citrate, and 22% PEG3350 |
