9FUH
CRYSTAL STRUCTURE OF REDUCED WILD TYPE 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 | 2021-03-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.87000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 127.842, 127.842, 86.337 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.685 - 1.170 |
| Rwork | 0.122 |
| R-free | 0.14610 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.883 |
| 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] | 37.685 | 1.190 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.089 | 1.642 |
| Rmeas | 0.099 | 1.846 |
| Rpim | 0.044 | 0.836 |
| Number of reflections | 177553 | 8766 |
| <I/σ(I)> | 7.9 | 0.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.9 | 4.8 |
| CC(1/2) | 0.998 | 0.354 |
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% PEG 3350 |
