1R0S

Crystal structure of ADP-ribosyl cyclase Glu179Ala mutant

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	200
Wavelength(s)	0.93
Spacegroup name	P 1 21 1
格子定数 [Å]	70.293, 58.349, 72.368
格子定数 [度]	90.00, 100.70, 90.00

精密化法

残基	20.000 - 2.000
R因子	0.231
Rwork	0.229
R-free	0.26130 *
Structure solution method	MOLECULAR REPLACEMENT
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]	1.727
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000
分解能 [Å] (高)	2.000	2.000 *
Rmerge_l_obs	0.086 *	0.255 *
独立反射数	35252
完全性 [%]	99.7 *	98.6 *
冗長性	3.8

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion *	7.5	18 *	0.1 M Imidazole and 12-24 % PEG 4K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 316K

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	reservoir	imidazole	0.1 (M)	pH7.5
2	1	reservoir	PEG4000	12-24 (%)