9FUJ
CRYSTAL STRUCTURE OF REDUCED 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 I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.80001 |
| Spacegroup name | H 3 |
| Unit cell lengths | 127.961, 127.961, 86.602 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.735 - 1.331 |
| Rwork | 0.112 |
| R-free | 0.14050 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.859 |
| 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] | 37.740 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.085 | 1.072 |
| Rmeas | 0.096 | 1.319 |
| Rpim | 0.045 | 0.754 |
| Number of reflections | 116526 | 4314 |
| <I/σ(I)> | 8 | 0.8 |
| Completeness [%] | 96.1 | 71.8 |
| Redundancy | 4.3 | 2.5 |
| CC(1/2) | 0.998 | 0.363 |
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 |
