6MVQ

HCV NS5B 1b N316 bound to Compound 31

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-23
Detector	RAYONIX MX-300
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
格子定数 [Å]	85.811, 106.565, 126.509
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	29.680 - 2.140
R因子	0.2123
Rwork	0.210
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	1.136
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0081)

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	50.000	50.000	2.140
分解能 [Å] (高)	2.070	4.460	2.070
Rmerge_l_obs	0.088	0.048	0.599
独立反射数	72869	7634	7160
<I/σ(I)>	5.7
完全性 [%]	99.6	99.5	99.3
冗長性	6	5.8	6

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 Na Citrate pH5.0, 10% glycerol, 15% PEG3350