6J91
Structure of a hypothetical protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.234, 123.363, 129.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.664 - 3.500 |
| R-factor | 0.2336 |
| Rwork | 0.232 |
| R-free | 0.25830 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.612 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | CRANK2 |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.560 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rpim | 0.053 | 0.134 |
| Number of reflections | 7492 | 353 |
| <I/σ(I)> | 18.9 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 30.3 | 30.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M Na citrate tribasic dihydrate pH 5.5, 16% PEG 8000, 0.01M Cadmium chloride hydrate |
