4QRE
Structure of Methionyl-tRNA Synthetase in complex with 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-04-12 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.932, 75.672, 119.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.450 - 1.700 |
R-factor | 0.2042 |
Rwork | 0.202 |
R-free | 0.23950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.791 |
Data reduction software | MOSFLM (3.2.17) |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.2) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 21.500 | 2.680 | 1.780 |
High resolution limit [Å] | 1.700 | 2.400 | 1.700 |
Number of reflections | 58516 | ||
Completeness [%] | 94.5 | 97.1 | 94.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 295 | PEG3350, Tris pH 7.9, ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |