7WPN
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor and ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-21 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.487, 72.053, 115.488 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.130 - 2.400 |
R-factor | 0.2189 |
Rwork | 0.217 |
R-free | 0.25930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7wpm |
RMSD bond length | 0.007 |
RMSD bond angle | 1.224 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.130 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.140 | 0.540 |
Number of reflections | 20367 | 2082 |
<I/σ(I)> | 10.6 | 3.1 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 300 | Sodium cacodylate, PEG 3350 |