5O16
Crystal structure of bifunctional dehydratase-cyclase domain in ambruticin biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976256 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 114.548, 114.548, 132.048 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.087 - 2.745 |
R-factor | 0.1881 |
Rwork | 0.186 |
R-free | 0.23830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ln9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.197 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | BALBES |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 114.548 | 2.754 |
High resolution limit [Å] | 2.745 | 2.745 |
Rmerge | 0.150 | 2.116 |
Rmeas | 0.153 | 2.157 |
Rpim | 0.030 | 0.412 |
Number of reflections | 23640 | 223 |
<I/σ(I)> | 18.9 | 2.1 |
Completeness [%] | 100.0 | 97.8 |
Redundancy | 25.5 | 27.1 |
CC(1/2) | 0.647 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | HEPES, PEG 400, ammonium sulfate, glycerol |