3MEY
Crystal structure of class II aaRS homologue (Bll0957) complexed with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-21 |
| Detector | OXFORD RUBY CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 127.166, 101.133, 50.414 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.740 - 2.500 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.23100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | CrysalisPro (Pro) |
| Data scaling software | SCALA (CCP4_3.3.9) |
| Phasing software | SHARP |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.740 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.130 | 0.570 |
| Total number of observations | 19068 | |
| Number of reflections | 23173 | |
| <I/σ(I)> | 13.7807 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.7 | 5.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 4.6 | 291 | PEG 4000, gycerol, pH 4.6, hanging drop, temperature 291K |
