1TE3

Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
格子定数 [Å]	42.703, 41.690, 72.901
格子定数 [度]	90.00, 104.56, 90.00

精密化法

残基	20.000 - 2.000
Rwork	0.128
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cba
結合長の平均二乗偏差(RMSD) [Å]	0.022
結合角の平均二乗偏差(RMSD) [度]	1.828
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000	2.070
分解能 [Å] (高)	2.000	2.000
独立反射数	16212
完全性 [%]		91.9

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7.8	277	50 mM Tris-Cl, 2.5 M ammonium sulfate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K