1MN6
Thioesterase Domain from Picromycin Polyketide Synthase, pH 7.6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 190 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-11-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.080 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.120, 58.330, 90.930 |
| Unit cell angles | 90.00, 96.16, 90.00 |
Refinement procedure
| Resolution | 29.600 - 2.200 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kez |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.220 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.098 | 0.357 |
| Total number of observations | 203580 * | |
| Number of reflections | 31231 | |
| <I/σ(I)> | 13.3 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 298 | 30% PEG 8000, 100 mM HEPES, 2 mM DTT, 100 mM magnesium chloride, pH 7.6, VAPOR DIFFUSION, SITTING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 30 (%) | |
| 2 | 1 | reservoir | HEPES | 100 (mM) | pH7.6 |
| 3 | 1 | reservoir | dithiothreitol | 2 (mM) | |
| 4 | 1 | reservoir | 100 (mM) | ||
| 5 | 1 | drop | protein | 10 (mg/ml) | |
| 6 | 1 | drop | HEPES | 10 (mM) | pH7.5 |
| 7 | 1 | drop | dithiothreitol | 2 (mM) |
