1B3N
BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 76.394, 76.394, 147.675 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.650 |
| R-factor | 0.213 * |
| Rwork | 0.213 |
| R-free | 0.27000 |
| Structure solution method | OTHER |
| RMSD bond length | 0.080 * |
| RMSD bond angle | 1.700 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SIGMAA |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.720 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.095 * | 0.325 * |
| Total number of observations | 22896 * | |
| Number of reflections | 12600 | |
| <I/σ(I)> | 5.3 | 1.6 |
| Completeness [%] | 83.4 | 71.8 |
| Redundancy | 1.8 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | 298 * | 5.6 MG/ML KAS-CERULENIN COMPLEX IN 0.3M NACL, 25MM TRIS PH8.0, 5MM IMIDAZOLE AND 10% (V/V) GLYCEROL WERE MIXED (2+2UL) WITH A 1000 UL RESERVOIR SOLUTION CONSISTING OF 26% W/V PEG8000 0.1% V/V 2-MERCAPTOETHANOL AND WATER. CRYSTALS APPEARED IN A FEW DAYS |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | 5.6 MG/ML KAS-CERULENIN COMPLEX IN 0.3M NACL, 25MM TRIS PH8.0, 5MM IMIDAZOLE AND 10% (V/V) GLYCEROL | ||
| 2 | 1 | 2 | A 1000 UL RESERVOIR SOLUTION CONSISTING OF 26% W/V PEG8000, 0.1% V/V 2-MERCAPTOETHANOL AND WATER. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | 0.3 (M) | ||
| 3 | 1 | drop | Tris-HCl | 25 (mM) | |
| 4 | 1 | drop | imidazole | 5 (mM) | |
| 5 | 1 | drop | glycerol | 10 (%(v/v)) | |
| 6 | 1 | reservoir | PEG8000 | 26 (%(w/v)) | |
| 7 | 1 | reservoir | 2-mercaptoethanol | 0.1 (%(v/v)) |
