4BT5
acetolactate decarboxylase with a bound (2S,3R)-2,3-Dihydroxy-2- methylbutanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 47.130, 47.130, 198.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.740 - 1.100 |
| R-factor | 0.17723 |
| Rwork | 0.177 |
| R-free | 0.18377 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bt2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.624 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.100 | 0.800 |
| Number of reflections | 104653 | |
| <I/σ(I)> | 11 | 2 |
| Completeness [%] | 99.3 | 95.1 |
| Redundancy | 6.8 | 5.1 |
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 |
