4KBI

HCV NS5B GT1B N316Y with CMPD 4

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-24
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
格子定数 [Å]	86.040, 106.450, 126.490
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	40.720 - 2.060
R因子	0.21319
Rwork	0.211
R-free	0.25039
Structure solution method	MOLECULAR REPLACEMENT
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]	0.961
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	40.720	50.000	2.290
分解能 [Å] (高)	2.060	6.100	2.250
Rmerge_l_obs	0.104	0.055	0.469
独立反射数	71514
<I/σ(I)>	7.4
完全性 [%]	97.1	99.6	89.7
冗長性	6.5	6.7	6.2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1M citrate pH5.0, 17% PEG4000, 10% glycerol, vapor diffusion, hanging drop, temperature 298K