2I0X

Hypothetical protein PF1117 from Pyrococcus furiosus

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9724
Spacegroup name	P 41 21 2
格子定数 [Å]	48.203, 48.203, 84.272
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	25.000 - 2.700
R因子	0.261
Rwork	0.261
R-free	0.30500
Structure solution method	SAD
結合長の平均二乗偏差(RMSD) [Å]	0.009
結合角の平均二乗偏差(RMSD) [度]	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SGXPRO
Refinement software	CNS (1.1)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	2.490
分解能 [Å] (高)	2.400	2.400
独立反射数	4033
<I/σ(I)>	20.2	3.7
完全性 [%]	93.7	58.3
冗長性	21.1	5.8

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN SOLUTION (10 MG/ML) AND A PRECIPITANT SOLUTION CONTAINING 20% PEG 8000, 200 MM SODIUM CHLORIDE, 12% GLYCEROL IN 100MM PHOSPHATE-CITRATE BUFFER, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K