2BTW
Crystal structure of Alr0975
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97935,0.974 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.860, 62.467, 76.552 |
| Unit cell angles | 90.00, 101.38, 90.00 |
Refinement procedure
| Resolution | 19.100 - 2.000 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.25700 |
| Structure solution method | MAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.719 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 18.000 |
| High resolution limit [Å] | 2.050 |
| Rmerge | 0.060 |
| Number of reflections | 27903 |
| <I/σ(I)> | 7.1 |
| Completeness [%] | 98.8 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | pH 5.00 |
