1MOU

Crystal structure of Coral pigment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-05-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	I 41 2 2
Unit cell lengths	131.700, 131.700, 150.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.224
Rwork	0.224
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ggx
RMSD bond length	0.006 *
RMSD bond angle	1.374 *
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.079	0.247
Total number of observations	109869 *
Number of reflections	32494
<I/σ(I)>	6.4	2.3
Completeness [%]	96.1	98.5
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2 *	293	PEG, Tris buffer, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17 (mg/ml)
2	1	reservoir	PEG3350	10-15 (%)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.2
4	1	reservoir	potassium iodide	0.2 (M)