2HEB

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

Experimental procedure

Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Detector technology	IMAGE PLATE
Collection date	1996-12-07
Spacegroup name	P 21 21 21
格子定数 [Å]	56.800, 61.220, 33.760
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	8.000 - 2.200
R因子	0.124
Rwork	0.124
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	1.520
Data reduction software	DENZO
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (高)	2.000 *
Rmerge_l_obs	0.071	0.185 *
Total number of observations	21591 *
独立反射数	5702
完全性 [%]	67.7	56.2 *
冗長性	3.87

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion, hanging drop *	4.5 *	10 *	Takano, K., (1997) Biochemistry, 36, 688. *

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
1	1	drop	protein	10 (mg/ml)
2	1	reservoir		2.5 (M)
3	1	reservoir	acetate	20 (mM)