2DVA

Crystal structure of peanut lectin GAL-BETA-1,3-GALNAC-ALPHA-O-ME (Methyl-T-antigen) complex

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
格子定数 [Å]	126.590, 124.620, 75.780
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	19.940 - 2.200
R因子	0.197
Rwork	0.197
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pel
結合長の平均二乗偏差(RMSD) [Å]	0.006
結合角の平均二乗偏差(RMSD) [度]	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000	2.280
分解能 [Å] (高)	2.200	2.200
Rmerge_l_obs	0.092	0.494
独立反射数	60730
<I/σ(I)>	12.4	4.7
完全性 [%]	98.8	99.8
冗長性	8.4	8.2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	7.5% PEG 8000, 0.025M Sodium cadodylate, 0.5M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K