1OXH
The crystal structure of beta-ketoacyl-[acyl carrier protein] synthase II from Streptococcus Pneumoniae, Triclinic form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-09-17 |
Detector | MARRESEARCH |
Wavelength(s) | 0.979190 |
Spacegroup name | P 1 |
Unit cell lengths | 61.520, 71.646, 96.100 |
Unit cell angles | 89.83, 83.09, 69.15 |
Refinement procedure
Resolution | 30.000 * - 2.100* |
R-factor | 0.2088 |
Rwork | 0.208 |
R-free | 0.23500 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.620 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 * | 2.180 |
High resolution limit [Å] | 2.100 * | 2.100 * |
Rmerge | 0.038 * | 0.254 * |
Total number of observations | 937038 * | |
Number of reflections | 90012 * | |
Completeness [%] | 92.6 * | 58.6 |
Redundancy | 2.1 * | 1.8 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 292 | PEG 3350, magnesium acetate, Tris HCl, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 392K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 50 (mM) | pH7.5 |
2 | 1 | reservoir | EDTA | 1 (mM) | |
3 | 1 | reservoir | dithiothreitol | 1 (mM) | |
4 | 1 | drop | protein | 20 (mg/ml) |