7Y1W
Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.556, 92.147, 86.728 |
Unit cell angles | 90.00, 108.77, 90.00 |
Refinement procedure
Resolution | 33.220 - 2.500 |
R-factor | 0.2329 |
Rwork | 0.229 |
R-free | 0.28880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k88 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20_4438) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.058 | 0.032 | 0.355 |
Rmeas | 0.069 | 0.038 | 0.470 |
Rpim | 0.038 | 0.019 | 0.305 |
Total number of observations | 87107 | ||
Number of reflections | 32554 | 1558 | 1371 |
<I/σ(I)> | 23.7 | ||
Completeness [%] | 88.4 | 81.7 | 74.2 |
Redundancy | 2.7 | 3.4 | 1.6 |
CC(1/2) | 0.997 | 0.501 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350, CaCl2 |