1UWS

Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-glucose

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-15
Detector	ADSC CCD
Spacegroup name	P 31 2 1
格子定数 [Å]	167.605, 167.605, 95.448
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	141.420 - 1.950
R因子	0.193
Rwork	0.192
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uwq
結合長の平均二乗偏差(RMSD) [Å]	0.014
結合角の平均二乗偏差(RMSD) [度]	1.342
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	30.000	2.020
分解能 [Å] (高)	1.950	1.950
Rmerge_l_obs	0.074	0.339
独立反射数	112688
<I/σ(I)>	17.55	6.03
完全性 [%]	99.9	100
冗長性	6.2	6.2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		4.6		11-14% PEG 4K 0.1 M NA ACETATE, 0.2 M AMMONIUM ACETATE, CRYO - 25% ETHYLENE GLYCOL, 10-13 MG/ML PROTEIN, pH 4.60