2FA3
HMG-CoA synthase from Brassica juncea in complex with acetyl-CoA and acetyl-cys117.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-19 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.978565 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 61.600, 61.600, 411.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.520 |
| R-factor | 0.18135 |
| Rwork | 0.176 |
| R-free | 0.28168 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 2F82 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.002 |
| Data reduction software | NEMO |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.660 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 16567 | |
| <I/σ(I)> | 16.26 | 3.1 |
| Completeness [%] | 97.4 | 85.6 |
| Redundancy | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 17% PEG 20K, 0.25M TMAO, 100mM PIPES, 2mM dithiothreitol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
