6M2T
The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-methyl-thiazole-5 carboxylate-AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2019-06-19 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.046, 95.143, 119.524 |
| Unit cell angles | 90.00, 110.58, 90.00 |
Refinement procedure
| Resolution | 27.780 - 2.140 |
| R-factor | 0.16 |
| Rwork | 0.160 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6m20 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.977 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.783 | 2.220 |
| High resolution limit [Å] | 2.138 | 2.140 |
| Rmerge | 0.200 | 0.200 |
| Number of reflections | 113090 | 113090 |
| <I/σ(I)> | 25.33 | |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG 4000, 0.1 M sodium chloride, 0.2 M MES |
