3VAV
Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase from Burkholderia thailandensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.710, 174.750, 104.580 |
Unit cell angles | 90.00, 108.71, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.155 |
Rwork | 0.154 |
R-free | 0.18010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ez4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.326 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 | |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.070 | 0.016 | 0.452 |
Number of reflections | 255864 | 2913 | 18851 |
<I/σ(I)> | 23.86 | 84.94 | 4.31 |
Completeness [%] | 99.9 | 99.1 | 99.8 |
Redundancy | 7.4 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | ButhA.00112.a.A1 PW33325 at 38.6 mg/mL against PACT H2 0.2 M sodium bromide, 0.1 M Bis Tris propane pH 8.5, 20% PEG 3350, crystal tracking ID 225054h2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |