7BMS
HEWL in cesium chloride (1.5 M CsCl in crystallization condition and cryo protectant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.71075 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 75.928, 75.928, 35.707 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.960 - 1.750 |
| R-factor | 0.1766 |
| Rwork | 0.175 |
| R-free | 0.20930 |
| Structure solution method | SAD |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.005 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.960 | 37.960 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
| Rmerge | 0.157 | 0.172 | 0.421 |
| Rmeas | 0.161 | 0.177 | 0.454 |
| Rpim | 0.033 | 0.037 | 0.166 |
| Total number of observations | 2236 | 4113 | |
| Number of reflections | 10988 | 110 | 556 |
| <I/σ(I)> | 18.3 | 26.6 | 4.5 |
| Completeness [%] | 99.6 | 99.5 | 95.2 |
| Redundancy | 20.3 | 20.3 | 7.4 |
| CC(1/2) | 0.996 | 0.995 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293.15 | 50 mM sodium acetate pH 4.5, 1.5 M cesium chloride |
