1MZS
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor
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 | 2000-03-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 72.340, 72.340, 100.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.1751 |
| Rwork | 0.175 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d9b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.550 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.111 | 0.301 |
| Number of reflections | 14354 | |
| <I/σ(I)> | 15 | 3.15 |
| Completeness [%] | 85.3 | 0.92 |
| Redundancy | 7.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7 | 4 * | Qiu, X., (1999) J.Biol.Chem., 274, 36465. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG6000 | 14 (%) |
