4BT2
acetolactate decarboxylase with a bound 1,2-ETHANEDIOL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 46.950, 46.950, 198.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.660 - 1.100 |
| R-factor | 0.18933 |
| Rwork | 0.189 |
| R-free | 0.20776 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.640 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.110 | 0.230 |
| Number of reflections | 100592 | |
| <I/σ(I)> | 18.2 | 3.6 |
| Completeness [%] | 96.0 | 80.2 |
| Redundancy | 8.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2 M TRIMETHYLAMINE N-OXIDE (TMAO), 0.1 M TRIS PH 8.5, 28-33 PEG 2K MME |
