1QTF

CRYSTAL STRUCTURE OF EXFOLIATIVE TOXIN B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1998-12-16
Detector	SIEMENS
Spacegroup name	C 2 2 21
Unit cell lengths	69.970, 71.090, 108.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.400
R-factor	0.204 *
Rwork	0.204
R-free	0.29000
RMSD bond length	0.012 *
RMSD bond angle	1.700 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.056	0.330
Number of reflections	10085
<I/σ(I)>	10.1
Completeness [%]	94.0	52
Redundancy	3.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	4 *	HEPES, MPD, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	MPD	25-30 (%)
3	1	reservoir	HEPES	50 (mM)