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 |
