1OZH
The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-02-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 86.320, 92.814, 97.420 |
Unit cell angles | 67.97, 63.48, 67.68 |
Refinement procedure
Resolution | 100.000 - 2.000 |
R-factor | 0.195 |
Rwork | 0.191 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jsc |
RMSD bond length | 0.005 |
RMSD bond angle | 1.260 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.030 * | 0.140 * |
Total number of observations | 285040 * | |
Number of reflections | 153254 | 11633 * |
<I/σ(I)> | 29.2 | 4.6 |
Completeness [%] | 93.8 | 71.3 |
Redundancy | 1.9 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 17 * | PEG 8000, ethylene glycol, sodium HEPES, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 9 (mg/ml) | |
2 | 1 | drop | potassium phosphate | 50 (mM) | pH7.0 |
3 | 1 | drop | ThDP | 1 (mM) | |
4 | 1 | drop | 1 (mM) | ||
5 | 1 | drop | dithiothreitol | 1 (mM) | |
6 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH7.5-7.7 |
7 | 1 | reservoir | PEG8000 | 6-8 (%(w/v)) | |
8 | 1 | reservoir | ethylene glycol | 6-9 (%(v/v)) |