9ONR
rubrerythrin- E53A E124A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.920100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.586, 57.954, 97.912 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.980 - 1.380 |
| R-factor | 0.1839 |
| Rwork | 0.183 |
| R-free | 0.20650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.728 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.980 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.115 | |
| Rpim | 0.071 | |
| Number of reflections | 111686 | 2835 |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 0.998 | 0.220 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1 M Trisodium Citrate pH 5, 0.1 M KSCN, 22% w/v PEG 4K |
