1X8R
EPSPS liganded with the (S)-phosphonate analog of the tetrahedral reaction intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 90 |
Detector technology | IMAGE PLATE |
Collection date | 2004-04-11 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.730, 85.170, 87.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.500 |
R-factor | 0.168 |
Rwork | 0.168 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g6s |
RMSD bond length | 0.009 |
RMSD bond angle | 1.560 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 1.600 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.048 | 0.143 |
Number of reflections | 66430 | |
<I/σ(I)> | 18.3 | 7.1 |
Completeness [%] | 95.3 | 92.1 |
Redundancy | 6.8 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | Na-formate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 290K |