1F8Q

CRYSTAL STRUCTURE OF ALPHA-MOMORCHARIN IN ACETONITRILE-WATER MIXTURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1999-11-22
Detector	RIGAKU RAXIS IIC
Spacegroup name	H 3
Unit cell lengths	131.510, 131.510, 39.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.198 *
Rwork	0.198
R-free	0.27200
RMSD bond length	0.009
RMSD bond angle	23.500 *
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.056 *	0.252
Number of reflections	11526
<I/σ(I)>	13.5
Completeness [%]	85.2 *	70.2
Redundancy	7.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.1 *	22 *	PEG 3350, Tris-HCl, ATP, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
1	VAPOR DIFFUSION, HANGING DROP	4.1 *	22 *	PEG 3350, Tris-HCl, ATP, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HAc-NaAc	5 (mM)	pH4.1
2	1	drop	ATP	3 (mM)
3	1	drop	protein	14 (mg/ml)
4	1	reservoir	Tris-HCl	20 (mM)
5	1	reservoir	PEG3350	20 (%(w/v))	pH7.12