3KG8
Dehydratase domain from CurJ module of Curacin polyketide synthase
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 | 2008-08-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.416, 70.345, 174.812 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.690 - 2.450 |
| R-factor | 0.19865 |
| Rwork | 0.195 |
| R-free | 0.25849 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kg8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.171 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.092 | 0.799 |
| Number of reflections | 21789 | |
| <I/σ(I)> | 15.6 | 2 |
| Completeness [%] | 98.7 | 95 |
| Redundancy | 6.6 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 18% PEG 3350, 2-10% 1,4 butanediol, 250 mM NaCl, 100 mM bis-Tris propane pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
