9ONM
near-apo rubrerythrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979330 |
| Spacegroup name | H 3 |
| Unit cell lengths | 203.919, 203.919, 68.785 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.760 - 1.570 |
| R-factor | 0.15 |
| Rwork | 0.148 |
| R-free | 0.17880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.902 |
| 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] | 33.760 | 1.590 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.066 | 0.536 |
| Rmeas | 0.093 | 0.758 |
| Rpim | 0.066 | |
| Number of reflections | 116984 | 192 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 78.2 | 1.9 |
| Redundancy | 2 | |
| CC(1/2) | 0.993 | 0.264 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 0.1 M HEPES pH 7.6, 0.1 M Li2SO4, 23% PEG 20k |
