4BT4
acetolactate decarboxylase with a bound (2S,3S)-2,3-Dihydroxy-2- methylbutanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Xenocs GeniX 3D Cu HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-06-09 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 46.830, 46.830, 198.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.700 - 1.600 |
| R-factor | 0.18095 |
| Rwork | 0.180 |
| R-free | 0.21028 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bt2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.529 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.190 | 0.840 |
| Number of reflections | 34150 | |
| <I/σ(I)> | 19.5 | 4.6 |
| Completeness [%] | 99.3 | 97.4 |
| Redundancy | 20.1 | 18.7 |
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 |
