5E1V
Crystal structure of a monomeric dehydratase domain from a trans AT polyketide synthase split module
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9919 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.030, 63.820, 66.990 |
| Unit cell angles | 89.99, 89.82, 79.23 |
Refinement procedure
| Resolution | 37.390 - 1.874 |
| R-factor | 0.2256 |
| Rwork | 0.224 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kg8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.997 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.980 | 37.370 | 1.980 |
| High resolution limit [Å] | 1.870 | 5.930 | 1.870 |
| Rmerge | 0.040 | 0.253 | |
| Rmeas | 0.068 | ||
| Rpim | 0.035 | 0.024 | 0.148 |
| Total number of observations | 184322 | 6091 | 25984 |
| Number of reflections | 48286 | ||
| <I/σ(I)> | 13.9 | 24.8 | 5.1 |
| Completeness [%] | 95.0 | 98.4 | 91 |
| Redundancy | 3.8 | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.02 M sodium/potassium phosphate, 0.1 M Bis-Tris propane, 20% PEG 3350 |
