3RAC
Crystal Structure of Histidine--tRNA ligase subunit from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-11 |
Detector | SBC-3 |
Wavelength(s) | 0.97920 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 69.276, 69.276, 177.643 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.744 - 2.301 |
R-factor | 0.1917 |
Rwork | 0.189 |
R-free | 0.23890 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.094 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MLPHARE |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 33816 | |
<I/σ(I)> | 24.7 | 2.2 |
Completeness [%] | 99.2 | 99.1 |
Redundancy | 7.8 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.045M DL-Malic acid, 0.075M sodium formate 0.1M Na-Hepes 7.0, 10% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |