6QA0
MSRB3 - AA 1-137
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-29 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.149, 85.713, 49.167 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.649 - 1.709 |
| R-factor | 0.1761 |
| Rwork | 0.174 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cez |
| Data reduction software | DIALS |
| 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] | 42.860 | 42.870 | 1.740 |
| High resolution limit [Å] | 1.710 | 4.640 | 1.710 |
| Rmeas | 0.084 | 0.037 | 1.407 |
| Rpim | 0.041 | 0.018 | 0.674 |
| Total number of observations | 159023 | 8458 | 7732 |
| Number of reflections | 37570 | 2071 | 1767 |
| <I/σ(I)> | 11.3 | 30.3 | 1.4 |
| Completeness [%] | 99.2 | 100 | 94.5 |
| Redundancy | 4.2 | 4.1 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200mM NaCl, 100mM Sodium Cacodylate pH 7.4, 1.6M Ammonium Sulfate, 20% Glycerol |
