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)) |
