2UY1
CRYSTAL STRUCTURE OF CSTF-77
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.440, 148.280, 91.440 |
| Unit cell angles | 90.00, 92.15, 90.00 |
Refinement procedure
| Resolution | 91.290 - 2.000 |
| R-factor | 0.227 |
| Rwork | 0.225 |
| R-free | 0.28000 |
| Structure solution method | OTHER |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.898 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 91.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.080 |
| Number of reflections | 77953 |
| <I/σ(I)> | 15.1 |
| Completeness [%] | 97.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
