7PP7
Thunberia alata 16:0-ACP desaturase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-22 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.8726 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 51.507, 76.172, 83.171 |
Unit cell angles | 90.00, 102.11, 90.00 |
Refinement procedure
Resolution | 55.590 - 2.050 |
R-factor | 0.2018 |
Rwork | 0.198 |
R-free | 0.26930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uw1 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.702 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.590 | 2.110 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.135 | 0.696 |
Number of reflections | 19684 | 1509 |
<I/σ(I)> | 7.9 | 2 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 3.6 | 3.8 |
CC(1/2) | 0.992 | 0.622 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.25M CaCl2, 0.1M Tris pH 8.0 and 16% PEG 6000) |