4MXM

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)	0.97905
Spacegroup name	P 1 21 1
格子定数 [Å]	37.186, 110.998, 62.075
格子定数 [度]	90.00, 100.15, 90.00

精密化法

残基	29.212 - 1.950
R因子	0.2475
Rwork	0.246
R-free	0.26910
Structure solution method	SAD
結合長の平均二乗偏差(RMSD) [Å]	0.002
結合角の平均二乗偏差(RMSD) [度]	0.547
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	45.700	2.020
分解能 [Å] (高)	1.950	1.950
Rmerge_l_obs	0.060	0.694
独立反射数	35150
<I/σ(I)>	30.6	2.5
完全性 [%]	97.1	97.1
冗長性	3.6	3.6

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