4MO7

Crystal structure of superantigen PfiT

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.04023
Spacegroup name	C 1 2 1
格子定数 [Å]	37.226, 93.661, 53.557
格子定数 [度]	90.00, 109.82, 90.00

精密化法

残基	25.192 - 1.701
R因子	0.1908
Rwork	0.189
R-free	0.23410
Structure solution method	SAD
結合長の平均二乗偏差(RMSD) [Å]	0.016
結合角の平均二乗偏差(RMSD) [度]	1.572
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.7.3_928)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	1.760
分解能 [Å] (高)	1.700	1.700
Rmerge_l_obs	0.049	0.556
独立反射数	18843
<I/σ(I)>	30.3	2.7
完全性 [%]	99.6	98.8
冗長性	3	2.8

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	8	298	4-8% PEG 3350, 0.1 M Tris, 0.2 M ammonium acetate, 5 mM MgCl2, 5 mM DTT, 5% isopropanol, and 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K