7RSM
Crystal structure of pyrrolysyl-tRNA synthetase (N346D/C348S/Y384F) in complex with o-Chlorophenylalanine and AMP-PNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2020-02-11 |
Detector | RIGAKU |
Wavelength(s) | 1.54180 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.700, 135.200, 72.240 |
Unit cell angles | 90.00, 112.54, 90.00 |
Refinement procedure
Resolution | 66.720 - 2.150 |
R-factor | 0.2504 |
Rwork | 0.247 |
R-free | 0.30870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e3c |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.640 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 68809 | 4600 |
<I/σ(I)> | 4 | |
Completeness [%] | 99.8 | |
Redundancy | 4.2 | |
CC(1/2) | 0.975 | 0.294 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M Sodium citrate tribasic dihydrate pH 5.5, 22% w/v Polyethylene glycol 1,000 |