2PQD
A100G CP4 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 | 2006-11-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.774, 44.860, 77.123 |
| Unit cell angles | 90.00, 106.35, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.770 |
| R-factor | 0.185 |
| Rwork | 0.156 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ggd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.590 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.064 | 0.356 |
| Number of reflections | 39870 | |
| <I/σ(I)> | 26 | 4 |
| Completeness [%] | 98.2 | 96.3 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | (NH4)2SO4, KCL, PEG400, HEPES-NA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
