4EGA
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1320
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-02 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.536, 105.921, 207.591 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.698 |
| R-factor | 0.18959 |
| Rwork | 0.188 |
| R-free | 0.22762 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3U1Z |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.188 |
| 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 | 2.750 |
| High resolution limit [Å] | 2.698 | 7.320 | 2.698 |
| Rmerge | 0.139 | 0.048 | 0.822 |
| Number of reflections | 52915 | ||
| <I/σ(I)> | 6.4 | ||
| Completeness [%] | 99.2 | 98.6 | 99.6 |
| Redundancy | 6.2 | 6.8 | 6.1 |
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 |
