4GRI
Crystal structure of a glutamyl-tRNA synthetase GluRS from Borrelia burgdorferi bound to glutamic acid and zinc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-29 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.460, 110.310, 197.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.175 - 2.600 |
| R-factor | 0.2264 |
| Rwork | 0.223 |
| R-free | 0.28510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j09 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.682 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.670 | |
| High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
| Rmerge | 0.107 | 0.049 | 0.374 |
| Number of reflections | 41054 | 535 | 2762 |
| <I/σ(I)> | 10.18 | 18.31 | 3.39 |
| Completeness [%] | 97.0 | 95.7 | 88.9 |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | BobuA.01348.a.A1 at 28 mg/mL with 20 mM glutamic acid against Wiz3 screen condition A8, 20% PEG 3350, 0.2 M KNO3 with 15% ethylene glycol as cryo-protectant, crystal tracking ID 233969a8, unique puck ID qax1-1, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
