3HY0
Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with GlySA
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 | P 21 21 21 |
| Unit cell lengths | 114.877, 115.036, 125.574 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.790 - 1.900 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.910 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.093 | 0.038 | 0.611 |
| Number of reflections | 131348 | ||
| <I/σ(I)> | 19.509 | ||
| Completeness [%] | 100.0 | 99.9 | 99.9 |
| Redundancy | 7.1 | 7.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 32% PEG400, 0.1 M HEPES, pH 7.8, vapor diffusion, sitting drop, temperature 277K |
