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 |