9ONQ
Mn-bound B. pseudomallei rubrerythrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979460 |
| Spacegroup name | H 3 |
| Unit cell lengths | 202.635, 202.635, 69.217 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.290 - 1.470 |
| R-factor | 0.1779 |
| Rwork | 0.177 |
| R-free | 0.19840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.891 |
| Data reduction software | autoXDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.290 | 1.490 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.095 | |
| Rmeas | 0.119 | |
| Rpim | 0.071 | |
| Number of reflections | 355444 | 8294 |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 5.1 | |
| CC(1/2) | 0.998 | 0.270 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 0.1 M Li2SO4, 23% w/v PEG 20K |
