4EG5
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1312
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-19 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.878, 106.119, 207.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.100 |
R-factor | 0.20438 |
Rwork | 0.202 |
R-free | 0.25845 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eg1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.210 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (refmac_5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.210 |
High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
Rmerge | 0.243 | 0.091 | 0.869 |
Number of reflections | 35765 | ||
<I/σ(I)> | 4.1 | ||
Completeness [%] | 99.5 | 98.6 | 98.9 |
Redundancy | 6.1 | 6.8 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2.0 to 2.3M ammonium sulfate, 0.2M sodium chloride and 0.1M sodium cacodylate pH 6.0 to 6.6, vapor diffusion, sitting drop, temperature 298K |