1NA1

The structure of HRV14 when complexed with Pleconaril

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-09-14
Detector	FUJI
Wavelength(s)	1.00
Spacegroup name	P 21 3
格子定数 [Å]	437.160, 437.160, 437.160
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	20.000 - 3.300
R因子	0.223
Rwork	0.222
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.010 *
結合角の平均二乗偏差(RMSD) [度]	1.540 *
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	ENVELOPE
Refinement software	CNS (1.0)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000
分解能 [Å] (高)	3.300	3.300
Rmerge_l_obs	0.164 *	0.477 *
Total number of observations	545390 *
独立反射数	320952
完全性 [%]	77.8	68.2 *

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HEPES, NaCl, CaCl2, PEG8K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
1	1	reservoir	HEPES	0.25 (M)
2	1	reservoir		0.25 (M)
3	1	reservoir		0.1 (M)
4	1	reservoir	PEG8000	0.3 (%)
5	1	drop	protein	20000 (mg/ml)