1MNQ
Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 190 |
| Detector technology | CCD |
| Collection date | 2001-11-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.016, 106.224, 114.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.22115 |
| Rwork | 0.220 |
| R-free | 0.24800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.740 * |
| Data reduction software | DENZO |
| 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 | 0.103 | 0.648 |
| Total number of observations | 418911 * | |
| Number of reflections | 35346 | |
| <I/σ(I)> | 14.6 | 2.2 |
| Completeness [%] | 97.4 * | 99.6 * |
| Redundancy | 13.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 298 | 30% PEG 4000, 100 mM Tris, 2 mM DTT, 100 mM lithium sulfate, pH 8.4, VAPOR DIFFUSION, SITTING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 30 (%) | |
| 2 | 1 | reservoir | Tris | 100 (mM) | pH8.4 |
| 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) |
