1P4U

CRYSTAL STRUCTURE OF GGA3 GAE DOMAIN IN COMPLEX WITH RABAPTIN-5 PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2002-09-28
Detector	RIGAKU RAXIS IV
Spacegroup name	C 2 2 21
Unit cell lengths	45.200, 85.200, 97.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.200
R-factor	0.217
Rwork	0.217
R-free	0.24970 *
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.420 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.044	0.109
Number of reflections	9417
<I/σ(I)>	19.8	10.5
Completeness [%]	97.8	98.5
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		1.6M sodium citrate, pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	1.6 (M)	pH6.5
2	1	drop	Tris-HCl	10 (mM)	pH7.5
3	1	drop		100 (mM)
4	1	drop	dithiothreitol	10 (mM)
5	1	drop	protein	35 (mg/ml)