1MNA
Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.0
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 2 |
| Unit cell lengths | 108.058, 130.593, 56.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.280 - 1.800 |
| R-factor | 0.2361 |
| Rwork | 0.236 |
| R-free | 0.26300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.220 * |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.587 |
| Total number of observations | 690823 * | |
| Number of reflections | 75591 | |
| <I/σ(I)> | 31.3 | 2.3 |
| Completeness [%] | 99.4 * | 91.5 * |
| Redundancy | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 298 | 1 M lithium sulfate, 100 mM Tris, 2 mM DTT, pH 8.0, VAPOR DIFFUSION, SITTING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 1 (M) | ||
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.0 |
| 3 | 1 | reservoir | dithiothreitol | 2 (mM) | |
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | drop | HEPES | 10 (mM) | pH7.5 |
| 6 | 1 | drop | dithiothreitol | 2 (mM) |
