7D5C
IleRS in complex with a tRNA site inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 170.649, 64.758, 142.229 |
Unit cell angles | 90.00, 107.78, 90.00 |
Refinement procedure
Resolution | 41.580 - 1.895 |
R-factor | 0.1775 |
Rwork | 0.177 |
R-free | 0.19430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ile |
RMSD bond length | 0.005 |
RMSD bond angle | 1.235 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.890 | 4.090 | 1.900 |
Rmerge | 0.095 | 0.044 | 0.594 |
Rmeas | 0.113 | 0.052 | 0.712 |
Rpim | 0.061 | 0.028 | 0.387 |
Number of reflections | 117006 | 11969 | 11580 |
<I/σ(I)> | 8.9 | ||
Completeness [%] | 99.9 | 99.6 | 99.8 |
Redundancy | 3.3 | 3.3 | 3.3 |
CC(1/2) | 0.994 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 281 | PEG 3350 |