6LYB
PylRS C-terminus domain mutant in complex with 3-Benzothienyl-D-alanine and AMPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2017-08-18 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99984 |
Spacegroup name | P 64 |
Unit cell lengths | 105.369, 105.369, 71.459 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.270 - 1.904 |
R-factor | 0.178676347637 |
Rwork | 0.177 |
R-free | 0.20324 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zce |
RMSD bond length | 0.015 |
RMSD bond angle | 1.401 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.11.1_2575) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.270 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.072 | 0.911 |
Rpim | 0.021 | 0.276 |
Number of reflections | 35444 | 3515 |
<I/σ(I)> | 41.8 | 2.18 |
Completeness [%] | 100.0 | |
Redundancy | 11.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM HEPES , 10% PEG 8000, 10% Ethylene Glycerol |