2PQ9
E. coli EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-09-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.157, 85.101, 87.644 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.600 |
| R-factor | 0.191 |
| Rwork | 0.166 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g6s |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.570 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.035 | 0.088 |
| Number of reflections | 55458 | |
| <I/σ(I)> | 24.4 | 10.6 |
| Completeness [%] | 95.4 | 92.5 |
| Redundancy | 6.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | Na-formate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
