6Q9V
MSRB3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-07 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.025, 65.183, 112.777 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.435 - 1.850 |
| R-factor | 0.1842 |
| Rwork | 0.182 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qa0 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.435 | 56.435 | 1.880 |
| High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
| Rmeas | 0.275 | 0.120 | 1.620 |
| Rpim | 0.105 | 0.047 | 0.603 |
| Total number of observations | 192229 | 10166 | 9749 |
| Number of reflections | 28505 | 1584 | 1385 |
| <I/σ(I)> | 4.9 | 9.6 | 1.4 |
| Completeness [%] | 99.8 | 99.9 | 97.9 |
| Redundancy | 6.7 | 6.4 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200mM NaCl, 100mM Cacodylate pH 7.4, 1.6M Ammonium Sulfate, 10% 2-Methyl-2,4-pentanediol |
