8QUP
G-CSFR inhibitor Bop1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 23.262, 29.132, 37.760 |
| Unit cell angles | 93.02, 92.60, 97.87 |
Refinement procedure
| Resolution | 23.570 - 1.300 |
| R-factor | 0.22756 |
| Rwork | 0.226 |
| R-free | 0.26499 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.610 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.570 | 1.380 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.049 | 0.530 |
| Number of reflections | 41065 | 4515 |
| <I/σ(I)> | 7.2 | 1 |
| Completeness [%] | 85.3 | 58.3 |
| Redundancy | 1.79 | 1.44 |
| CC(1/2) | 0.995 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 100 mM MES pH 7.0, 20% PEG 8000 |
