1FJ8
THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-03-06 |
Detector | ENRAF-NONIUS |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.227, 139.585, 212.228 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.270 |
R-factor | 0.23 * |
Rwork | 0.230 |
R-free | 0.26500 |
RMSD bond length | 0.008 |
RMSD bond angle | 26.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.310 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.092 | 0.339 |
Total number of observations | 741083 * | |
Number of reflections | 79879 | |
<I/σ(I)> | 17 | |
Completeness [%] | 97.3 | 91.8 |
Redundancy | 4.1 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 8 * | 291 | ammonium sulfate, PEG 400, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | Tris-HCl | 10 (mM) | |
2 | 1 | 1 | dithiothreitol | 1 (mM) | |
3 | 1 | 1 | EDTA | 1 (mM) | |
4 | 1 | 1 | protein | 15 (mg/ml) |