3W8X
The complex structure of EncM with trifluorotriketide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.246, 85.175, 79.363 |
| Unit cell angles | 90.00, 99.47, 90.00 |
Refinement procedure
| Resolution | 48.520 - 1.820 |
| R-factor | 0.15495 |
| Rwork | 0.153 |
| R-free | 0.19207 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w8w |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.076 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 83197 | |
| Completeness [%] | 99.9 | 97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 2mM DTT, 0.1M HEPES-Na, 0.2M calcium acetate, 20% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
