6E17
A131E mutant of cyt P460 of Nitrosomonas sp. AL212 with NO bound
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.673, 80.045, 119.170 |
| Unit cell angles | 90.00, 92.57, 90.00 |
Refinement procedure
| Resolution | 48.624 - 1.970 |
| R-factor | 0.2094 |
| Rwork | 0.208 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6amg |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.002 |
| 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] | 48.640 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.043 | 0.120 |
| Number of reflections | 63916 | 63916 |
| <I/σ(I)> | 38.5 | |
| Completeness [%] | 98.8 | |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.2 M sodium chloride, 0.1Msodium acetate, and PEG 6000 |
