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 |