3MF2
Crystal structure of class II aaRS homologue (Bll0957) complexed with AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.28200 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 127.670, 100.240, 50.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.780 - 2.150 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.20800 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHARP |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.740 | 2.280 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.055 | 0.407 |
| Number of reflections | 35847 | 10638 |
| <I/σ(I)> | 16.23 | 3.4 |
| Completeness [%] | 99.4 | 96.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 4.6 | 291 | PEG 4000, gycerol, pH 4.6, hanging drop, temperature 291K |
