1HNJ
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III + MALONYL-COA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-01-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 72.640, 72.640, 102.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.460 |
Rwork | 0.169 |
R-free | 0.19300 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.067 | 0.275 |
Total number of observations | 248087 * | |
Number of reflections | 49069 * | |
Completeness [%] | 99.6 | 98.5 |
Redundancy | 5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.4 * | Janson, C.A., (2000) Acta Crystallogr.D, 56, 747. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 20 (mM) | |
3 | 1 | drop | 50 (mM) | ||
4 | 1 | drop | dithiothreitol | 2 (mM) | |
5 | 1 | reservoir | magnesium chloride | 0.1 (M) | |
6 | 1 | reservoir | Tris-HCl | 0.05 (M) | |
7 | 1 | reservoir | PEG4000 | 15 (%) |