8FXD
Rubrerythrin from B. pseudomallei: manganese-bound
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 | 2022-06-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | H 3 |
| Unit cell lengths | 201.874, 201.874, 69.025 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.140 - 1.580 |
| Rwork | 0.148 |
| R-free | 0.17550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.529 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.140 | 1.692 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.092 | 0.833 |
| Rmeas | 0.115 | 1.161 |
| Rpim | 0.069 | 0.807 |
| Number of reflections | 108953 | 5450 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 93.7 | 59.3 |
| Redundancy | 5.2 | 3.1 |
| CC(1/2) | 0.998 | 0.457 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.138 M Li2SO4, 0.92 M BTP, pH 8, 22.08% PEG 3350, 0.8 mM MnCl2 |
