7B9A
CooS-V with Xe-soaked
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.410, 230.050, 82.740 |
| Unit cell angles | 90.00, 101.52, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.238 |
| Rwork | 0.236 |
| R-free | 0.27580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b7q |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 83046 | 34051 |
| <I/σ(I)> | 14.7 | |
| Completeness [%] | 91.6 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.952 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.1 M Bis-Tris propane (pH 6.5), 0.15 M KSCN and 16-20% (w/v) PEG3350 |
