7EER
Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with 05E6 and ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2019-10-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97861 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.627, 87.595, 217.084 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.242 - 2.000 |
R-factor | 0.2237 |
Rwork | 0.223 |
R-free | 0.25470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7cki |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.059 | 0.031 | 0.427 |
Rmeas | 0.064 | 0.033 | 0.466 |
Rpim | 0.025 | 0.013 | 0.184 |
Total number of observations | 1018876 | ||
Number of reflections | 170735 | 18119 | 16589 |
<I/σ(I)> | 7.6 | ||
Completeness [%] | 95.1 | 99.3 | 92.7 |
Redundancy | 6 | 6.7 | 5.9 |
CC(1/2) | 0.999 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 310 | 1.9 M K2HPO4 |