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 |