3HXZ
Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with AlaSA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97971 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.928, 162.186, 125.713 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.990 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.833 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 1.990 | 4.310 | 1.990 |
| Rmerge | 0.091 | 0.047 | 0.399 |
| Number of reflections | 218463 | ||
| <I/σ(I)> | 10.315 | ||
| Completeness [%] | 98.4 | 99.6 | 93.8 |
| Redundancy | 3.9 | 4.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 30% PEG400, 0.1 M HEPES pH 7.8, vapor diffusion, sitting drop, temperature 277K |
