3QIT
Thioesterase Domain From Curacin Biosynthetic Pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.560, 86.911, 87.592 |
| Unit cell angles | 90.00, 90.77, 90.00 |
Refinement procedure
| Resolution | 39.100 - 1.680 |
| R-factor | 0.16643 |
| Rwork | 0.164 |
| R-free | 0.20850 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.268 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Number of reflections | 114584 | |
| <I/σ(I)> | 18.1 | 2.1 |
| Completeness [%] | 90.2 | 49.8 |
| Redundancy | 3.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 277 | 27% PEG3350, 0.1 M Tris, 0.2 M sodium chloride, 2.5% glycerol, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
