2XEM
Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.471, 65.387, 94.411 |
| Unit cell angles | 90.00, 99.85, 90.00 |
Refinement procedure
| Resolution | 14.840 - 2.100 |
| R-factor | 0.1627 |
| Rwork | 0.161 |
| R-free | 0.19370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w3x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 6.600 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 39917 | |
| <I/σ(I)> | 7 | 2.4 |
| Completeness [%] | 97.3 | 97 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | PH 7.5 |
