8DQG
Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to AMPPNP and acridone
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 | 110.953, 110.953, 113.587 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.470 - 1.490 |
R-factor | 0.1376 |
Rwork | 0.136 |
R-free | 0.16110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jp2 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.470 | 45.470 | 1.520 |
High resolution limit [Å] | 1.490 | 8.160 | 1.490 |
Rmerge | 0.067 | 0.027 | 2.407 |
Rmeas | 0.070 | 0.029 | 2.519 |
Rpim | 0.019 | 0.009 | 0.736 |
Total number of observations | 1445259 | 8125 | 63900 |
Number of reflections | 111755 | 700 | 5504 |
<I/σ(I)> | 20.1 | 74.7 | 1.1 |
Completeness [%] | 100.0 | 98.8 | 100 |
Redundancy | 12.9 | 11.6 | 11.6 |
CC(1/2) | 1.000 | 0.998 | 0.386 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350, Sodium citrate tribasic dihydrate, magnesium chloride |