1THL

Thermolysin complexed with a novel glutaramide derivative, n-(1-(2(r,s)-carboxy-4-phenylbutyl) cyclopentylcarbonyl)-(s)-tryptophan

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1991
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 61 2 2
格子定数 [Å]	94.100, 94.100, 131.400
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	10.000 - 1.700
R因子	0.162
Rwork	0.162
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3TLN
結合長の平均二乗偏差(RMSD) [Å]	0.017
結合角の平均二乗偏差(RMSD) [度]	2.536
Data reduction software	Xuong-Hamlin (Scaling Suite)
Data scaling software	XUONG-HAMLIN ((DETECTOR SYSTEM))
Phasing software	TNT
Refinement software	TNT

Quality characteristics

	Overall
分解能 [Å] (低)	35.000
分解能 [Å] (高)	1.600 *
Rmerge_l_obs	0.066
独立反射数	34103 *
完全性 [%]	86.0

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	unknown *	7.2	277	TRIS ACETATE, CALCIUM ACETATE, DMSO, PH 7.2, DILUTION WITH H2O, TEMPERATURE 277K