1MO2
Thioesterase Domain from 6-Deoxyerythronolide Synthase (DEBS TE), pH 8.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 190 |
| Detector technology | CCD |
| Collection date | 1999-12-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.500, 102.500, 156.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.000 |
| R-factor | 0.24447 |
| Rwork | 0.242 |
| R-free | 0.28700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kez |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.670 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.103 | 0.510 |
| Total number of observations | 350978 * | |
| Number of reflections | 26440 | |
| <I/σ(I)> | 9.7 | 1.7 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 4 * | PEG 400, bicine, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Bicine | 100 (mM) | pH8.5 |
| 2 | 1 | reservoir | dithiothreitol | 2 (mM) | |
| 3 | 1 | reservoir | 100 (mM) | ||
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | drop | HEPES | 20 (mM) | pH7.5 |
| 6 | 1 | drop | dithiothreitol | 2 (mM) |
