5ER8
Crystal structure of cyclization domain of Phomopsis amygdali fusicoccadiene synthase complexed with manganese ions and neridronate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-04 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.18 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 142.601, 142.601, 117.632 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.386 - 2.500 |
R-factor | 0.2245 |
Rwork | 0.207 |
R-free | 0.23850 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.260 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXCD |
Refinement software | PHENIX (dev_1839) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 43.400 |
High resolution limit [Å] | 2.500 |
Number of reflections | 48128 |
<I/σ(I)> | 30 |
Completeness [%] | 100.0 |
Redundancy | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.05 M sodium formate, 0.075 M manganese formate, 0.1 M sodium acetate (pH 4.4) |