8DQH
Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 24 hours of crystal growth
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-10-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | .976 |
Spacegroup name | I 4 |
Unit cell lengths | 110.862, 110.862, 113.556 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.440 - 1.520 |
R-factor | 0.1658 |
Rwork | 0.165 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jp2 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.440 | 45.440 | 1.550 |
High resolution limit [Å] | 1.520 | 8.330 | 1.520 |
Rmerge | 0.071 | 0.036 | 2.802 |
Rmeas | 0.074 | 0.037 | 2.907 |
Rpim | 0.020 | 0.010 | 0.774 |
Total number of observations | 1496426 | 8695 | 72630 |
Number of reflections | 105102 | 663 | 5161 |
<I/σ(I)> | 20.4 | 69.4 | 1 |
Completeness [%] | 100.0 | 98.7 | 100 |
Redundancy | 14.2 | 13.1 | 14.1 |
CC(1/2) | 1.000 | 0.999 | 0.359 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350, Sodium citrate tribasic dihydrate, magnesium chloride |