2HEE

CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY

Experimental procedure

Detector technology	IMAGE PLATE
Collection date	1996-06-14
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	57.120, 60.870, 33.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.16
Rwork	0.160
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	PROCESS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	1.800
Rmerge	0.057	0.131 *
Total number of observations	35373 *
Number of reflections	10885
Completeness [%]	95.1	88 *
Redundancy	3.25

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5 *	10 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir		2.5 (M)
3	1	reservoir	acetate	20 (mM)