1I01
CRYSTAL STRUCTURE OF BETA-KETOACYL [ACYL CARRIER PROTEIN] REDUCTASE FROM E. COLI.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-04-12 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.97938, 0.95373 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.700, 120.100, 131.100 |
| Unit cell angles | 90.00, 90.50, 90.00 |
Refinement procedure
| Resolution | 29.000 * - 2.600 |
| R-factor | 0.228 * |
| Rwork | 0.228 |
| R-free | 0.25000 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | MARMAD |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SHARP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.072 | 0.093 |
| Number of reflections | 56511 | |
| <I/σ(I)> | 6.5 | |
| Completeness [%] | 96.3 | 96.3 |
| Redundancy | 6.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 * | 291 | PEG 10000, Hepes, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 20 (mM) | pH7.9 |
| 2 | 1 | drop | dithiothreitol | 1 (mM) | |
| 3 | 1 | drop | EDTA | 100 (mM) | |
| 4 | 1 | reservoir | PEG10000 | 20 (%) | |
| 5 | 1 | reservoir | HEPES | 100 (mM) | pH8.5 |
