1Q7C
The structure of betaketoacyl-[ACP] reductase Y151F mutant in complex with NADPH fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-05 |
| Detector | ENRAF-NONIUS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.857, 95.857, 131.617 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.800 - 2.500 |
| R-factor | 0.2187 |
| Rwork | 0.215 |
| R-free | 0.25200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.170 * |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.800 | 2.610 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.057 * | 0.174 * |
| Total number of observations | 172466 * | |
| Number of reflections | 17095 | 2163 * |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.1 * | 7.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 * | VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 20 (mM) | pH7.6 |
| 2 | 1 | drop | 50 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | protein | 5 (mg/ml) | |
| 6 | 1 | reservoir | PEG1000 | 20 (%) | |
| 7 | 1 | reservoir | calcium acetate | 0.2 (M) | |
| 8 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH9.0 |
