3QMV
RedJ-Thioesterase from the Prodiginine biosynthetic pathway in Streptomyces coelicolor
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 | IMAGE PLATE |
| Collection date | 2009-08-19 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.813, 79.399, 87.438 |
| Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.120 |
| R-factor | 0.20307 |
| Rwork | 0.201 |
| R-free | 0.24938 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.241 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Number of reflections | 57954 | |
| <I/σ(I)> | 22.12 | 5.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.7 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 12% PEG2000, 0.7 M sodium chloride, 2 mM DTT, 0.1 M HEPES, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
