7BMW
p62PH in cesium chloride (0.75 M CsCl in 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 | 2016-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.7712 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 40.250, 101.760, 75.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.120 - 1.900 |
| R-factor | 0.1989 |
| Rwork | 0.198 |
| R-free | 0.22130 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.930 |
| 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] | 42.120 | 42.120 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.123 | 0.086 | 1.392 |
| Rmeas | 0.125 | 0.088 | 1.421 |
| Rpim | 0.025 | 0.018 | 0.283 |
| Total number of observations | 3247 | 17430 | |
| Number of reflections | 12177 | 142 | 739 |
| <I/σ(I)> | 17.4 | 44.9 | 2.2 |
| Completeness [%] | 97.4 | 99.5 | 93.6 |
| Redundancy | 24.7 | 22.9 | 23.6 |
| CC(1/2) | 0.998 | 0.999 | 0.833 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.9 M potassium chloride, 17 % (w/v) PEG 4000 |
