4RDL

Crystal structure of Norovirus Boxer P domain in complex with Lewis y tetrasaccharide

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 61
格子定数 [Å]	140.390, 140.390, 65.020
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	47.701 - 1.449
R因子	0.1314
Rwork	0.130
R-free	0.15070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rdj
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]	1.140
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	1.480
分解能 [Å] (高)	1.449	1.449
Rmerge_l_obs	0.095	0.473
独立反射数	129481
<I/σ(I)>	27.7	6.1
完全性 [%]	100.0	100
冗長性	11.1	11

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	0.1M LiCl, 18%(w/v) PEG 3350, 10%(v/v) MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K