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)