7CMS
Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with chuangxinmycin
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 | 2018-01-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97854 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 91.675, 91.675, 152.370 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.894 - 2.200 |
R-factor | 0.1712 |
Rwork | 0.169 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i6m |
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 | 2.100 |
High resolution limit [Å] | 2.060 | 5.590 | 2.060 |
Rmerge | 0.181 | 0.074 | 2.417 |
Rmeas | 0.186 | 0.076 | 2.505 |
Rpim | 0.043 | 0.018 | 0.655 |
Total number of observations | 871458 | ||
Number of reflections | 37392 | 2560 | 2350 |
<I/σ(I)> | 5.5 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 18.6 | 18.1 | 14.2 |
CC(1/2) | 0.997 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 310 | 1.8M K2HPO4 |