2V0G
LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A tRNA(leu) transcript with 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1- BENZOXABOROLE (AN2690) forming an adduct to the ribose of adenosine- 76 in the enzyme editing site.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-20 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 202.050, 125.800, 173.200 |
| Unit cell angles | 90.00, 118.71, 90.00 |
Refinement procedure
| Resolution | 152.500 - 3.500 |
| R-factor | 0.249 |
| Rwork | 0.245 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byt |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.335 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.600 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.120 | 0.450 |
| Number of reflections | 138057 | |
| <I/σ(I)> | 9 | 2.69 |
| Completeness [%] | 94.9 | 96.8 |
| Redundancy | 3 | 2.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5MG/ML LEUCYL-TRNA SYNTHETASE, MOLAR RATIO PROTEIN:TRNA 1.0:1.2 5MM L-LEUCINE, 15MM MGCL2, 50MM MES PH6.5, 0.8M AMMONIUM SULPHATE AGAINST RESERVOIR CONTAINING 1.5M AMMONIUM SULPHATE AND 0.1M MES PH6.5 |
