2HEC

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

Experimental procedure

Detector technology	IMAGE PLATE
Collection date	1996-06-10
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	56.730, 61.040, 33.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.153
Rwork	0.153
RMSD bond length	0.008
RMSD bond angle	1.490
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	0.059	0.113 *
Total number of observations	35090 *
Number of reflections	10237
Completeness [%]	90.0	86.6 *
Redundancy	3.43

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)