4REP

Crystal Structure of gamma-carotenoid desaturase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-14
Detector	ADSC QUANTUM 270r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	48.369, 72.835, 68.137
Unit cell angles	90.00, 110.29, 90.00

Refinement procedure

Resolution	48.080 - 1.970
R-factor	0.1634
Rwork	0.160
R-free	0.22350
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.694
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.970	5.350	1.970
Rmerge	0.067	0.032	0.268
Number of reflections	30536
<I/σ(I)>	11.4
Completeness [%]	97.1	99.7	83.8
Redundancy	3	3.6	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	14% PEG3350, 0.1 M succinic acid, pH 7.0, 50 mM dimethylbenzylammonium propane sulfonate, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7	295	14% PEG3350, 0.1 M succinic acid, pH 7.0, 50 mM dimethylbenzylammonium propane sulfonate, VAPOR DIFFUSION, HANGING DROP, temperature 295K