6BYQ
Crystal structure of Tyrosine-tRNA ligase from Helicobacter pylori G27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-27 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 121.400, 43.360, 113.700 |
Unit cell angles | 90.00, 121.21, 90.00 |
Refinement procedure
Resolution | 40.011 - 2.200 |
R-factor | 0.1805 |
Rwork | 0.178 |
R-free | 0.20910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h3f as per MorDa TARGET IDENTIFIED WITH SIMBAD |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (dev_2947) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.011 | 40.011 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.049 | 0.020 | 0.498 |
Rmeas | 0.056 | 0.023 | 0.578 |
Number of reflections | 25454 | 319 | 1637 |
<I/σ(I)> | 18.03 | 48.41 | 2.6 |
Completeness [%] | 97.1 | 94.7 | 84.8 |
Redundancy | 4.17 | 3.583 | 3.737 |
CC(1/2) | 0.999 | 0.999 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Molecular Dimensions Morpheus screen D11: 10% w/V PEG 4000, 20% V/V glycerol, 0.02 M each 1,6-hexanediol, 1-butanol, (RS)-1,2- propanediol, M 2-propanol, 1,4-butanediol, 1,3-propanediol: 100mM Bicine/Tris base pH 8.5: HepyC.00630.a.B1/HepyC.01032.a.B1.PS38283 at 18.5mg/ml: cryo: direct: tray 292683 d11: puck xoe2-4 |