7F99
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-17 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.471, 91.518, 83.335 |
| Unit cell angles | 90.00, 110.11, 90.00 |
Refinement procedure
| Resolution | 78.252 - 1.979 |
| R-factor | 0.1836 |
| Rwork | 0.181 |
| R-free | 0.22770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vad |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.252 | 2.010 |
| High resolution limit [Å] | 1.979 | 1.980 |
| Rmeas | 0.121 | 0.854 |
| Number of reflections | 69229 | 3404 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 99.9 | 98.4 |
| Redundancy | 6.7 | 6.6 |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 1.5 M CaCl2, 20% PEG 3350 |
