6R1O
Crystal structure of E. coli seryl-tRNA synthetase complexed to a seryl sulfamoyl adenosine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.980 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 85.410, 85.410, 317.716 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.960 - 2.600 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dq3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 158.858 | 2.641 |
High resolution limit [Å] | 2.596 | 2.596 |
Number of reflections | 22345 | |
<I/σ(I)> | 17.4 | |
Completeness [%] | 100.0 | |
Redundancy | 28.5 | |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M sodium citrate pH 5.5 0.8 M lithium sulfate 0.05 M ammonium sulfate |