2XFL
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 QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.110, 179.127, 64.177 |
| Unit cell angles | 90.00, 111.25, 90.00 |
Refinement procedure
| Resolution | 24.280 - 2.900 |
| R-factor | 0.1988 |
| Rwork | 0.196 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w3x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| 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] | 40.000 | 9.200 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.130 | 0.460 |
| Number of reflections | 27578 | |
| <I/σ(I)> | 6.7 | 2.3 |
| Completeness [%] | 99.0 | 98 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
