8DQJ
Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (AST) bound to ATP 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 | 110.722, 110.722, 114.157 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.120 - 1.540 |
R-factor | 0.1715 |
Rwork | 0.170 |
R-free | 0.19300 |
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] | 35.120 | 35.120 | 1.570 |
High resolution limit [Å] | 1.540 | 8.430 | 1.540 |
Rmerge | 0.099 | 0.046 | 2.501 |
Rmeas | 0.103 | 0.049 | 2.604 |
Rpim | 0.029 | 0.014 | 0.717 |
Total number of observations | 1312985 | 7444 | 64735 |
Number of reflections | 101330 | 632 | 4993 |
<I/σ(I)> | 10.6 | 29.5 | 1.1 |
Completeness [%] | 100.0 | 97.8 | 100 |
Redundancy | 13 | 11.8 | 13 |
CC(1/2) | 0.999 | 0.997 | 0.348 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350, Sodium citrate tribasic dihydrate |