3OOS

The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-22
Detector	SBC-3
Wavelength(s)	0.9797
Spacegroup name	I 2 2 2
格子定数 [Å]	73.717, 80.839, 113.867
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	65.920 - 1.650
R因子	0.14919
Rwork	0.147
R-free	0.18189
Structure solution method	SAD
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]	0.897
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXD
Refinement software	REFMAC (5.5.0109)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	1.690
分解能 [Å] (高)	1.660	1.660
Rmerge_l_obs	0.043	0.181
独立反射数	40780
<I/σ(I)>	56.03	12
完全性 [%]	100.0	100
冗長性	7.3	6

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2M ammonium sulfate, 0.1M HEPES pH7.5, 16%w/v PEG4000, 10%w/v isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 277K