1T9A
Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.90 |
Spacegroup name | P 4 2 2 |
Unit cell lengths | 154.586, 154.586, 178.799 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.590 |
R-factor | 0.16 |
Rwork | 0.156 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n0h |
RMSD bond length | 0.005 |
RMSD bond angle | 1.157 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.680 |
High resolution limit [Å] | 2.580 | 2.580 |
Rmerge | 0.072 | 0.253 |
Number of reflections | 67083 | |
<I/σ(I)> | 14.6 | 5.95 |
Completeness [%] | 97.8 | 78.8 |
Redundancy | 7.72 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | potassium phosphate, thiamin diphosphate, FAD, magnesium chloride, DTT, tribenuron methyl, Tris-HCl, Lithium sulfate, sodium potassium tartrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |