3EA4
Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron-ester
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 | 2005-12-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 178.468, 178.468, 184.948 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.420 - 2.800 |
R-factor | 0.19969 |
Rwork | 0.199 |
R-free | 0.21348 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ybh |
RMSD bond length | 0.007 |
RMSD bond angle | 1.153 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.420 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.075 | 0.315 |
Number of reflections | 42923 | |
<I/σ(I)> | 20.1 | 0 |
Completeness [%] | 98.7 | 96.4 |
Redundancy | 5.8 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 291 | 0.1M CHES, 0.2M Li2SO4, 1M potassium sodium tartrate, 1mM ThDP, 1mM FAD, 1mM MgCl2, 5mM DTT, 1mM MSE , pH 9.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |