3KG7
Dehydratase domain from CurH module of Curacin polyketide synthase
Experimental procedure
| Experimental method | MAD |
| 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 | 2008-08-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97945, 0.97962 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.163, 74.447, 103.482 |
| Unit cell angles | 90.00, 108.84, 90.00 |
Refinement procedure
| Resolution | 48.970 - 2.770 |
| R-factor | 0.208 |
| Rwork | 0.203 |
| R-free | 0.26900 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.085 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.910 |
| High resolution limit [Å] | 2.770 | 2.800 |
| Rmerge | 0.107 | 0.813 |
| Number of reflections | 29940 | |
| <I/σ(I)> | 19.7 | 2.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.6 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | 15% PEG 4000, 10% PEG 400, 2 mM DTT, 100 mM bis-Tris propane pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
