4XEM
Crystal Structure of wild type human AlaRS catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2011-07-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.121, 67.131, 75.107 |
| Unit cell angles | 90.00, 127.42, 90.00 |
Refinement procedure
| Resolution | 37.330 - 1.278 |
| R-factor | 0.1619 |
| Rwork | 0.161 |
| R-free | 0.17870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hxu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.083 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.380 |
| High resolution limit [Å] | 1.278 | 1.278 |
| Rmerge | 0.040 | 0.483 |
| Number of reflections | 109596 | |
| <I/σ(I)> | 35.5 | 2.9 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | PEG3350 |
