8GAR
Nitrosomonas europaea Cytochrome P460 Arg44Ala
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] | 80 |
| Detector technology | PIXEL |
| Collection date | 2022-08-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 53.111, 53.111, 125.894 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.016 - 1.550 |
| R-factor | 0.166847748623 |
| Rwork | 0.165 |
| R-free | 0.20110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.991 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.016 | 1.605 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.052 | 1.518 |
| Rmeas | 0.053 | |
| Number of reflections | 30693 | 3014 |
| <I/σ(I)> | 32.17 | 2.11 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 19.8 | 20.2 |
| CC(1/2) | 1.000 | 0.916 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG 3000, calcium acetate, sodium cacodylate, MOP buffer |
