1HYT

RE-DETERMINATION AND REFINEMENT OF THE COMPLEX OF BENZYLSUCCINIC ACID WITH THERMOLYSIN AND ITS RELATION TO THE COMPLEX WITH CARBOXYPEPTIDASE A

Experimental procedure

実験手法	SINGLE CRYSTAL
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	MULTIWIRE AREA DETECTOR
Detector	XUONG-HAMLIN
Spacegroup name	P 61 2 2
格子定数 [Å]	93.691, 93.691, 131.503
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	20.000 - 1.700
R因子	0.157
Structure solution method	MOLECULAR SUBSTITUTION
結合長の平均二乗偏差(RMSD) [Å]	0.015
結合角の平均二乗偏差(RMSD) [度]	1.900
Data reduction software	XENGEN ((HOWARD)
Data scaling software	XENGEN ((HOWARD)
Refinement software	TNT

Quality characteristics

	Overall
分解能 [Å] (高)	1.700 *
Rmerge_l_obs	0.045 *
独立反射数	35931 *
完全性 [%]	94.0 *

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	unknown *	7.2		Holmes, M.A., (1982) J.Mol.Biol., 160, 623. *

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	1		2.5 (M)
2	1	2	calcium acetate	0.01 (M)
3	1	2	Tris	0.01 (M)
4	1	2	dimethylsulphoxide	7 (%(v/v))