3TSS

TOXIC SHOCK SYNDROME TOXIN-1 TETRAMUTANT, P2(1) CRYSTAL FORM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1993-03
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	44.360, 33.960, 55.180
Unit cell angles	90.00, 92.96, 90.00

Refinement procedure

Resolution	5.000 - 1.900
R-factor	0.173
Rwork	0.173
Structure solution method	MR
Starting model (for MR)	1TSS
RMSD bond length	0.010
RMSD bond angle	24.500 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.063 *	0.407 *
Number of reflections	12869
<I/σ(I)>	10.6	0.8
Completeness [%]	93.0	59
Redundancy	7.1	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7		50 MM ACETATE BUFFER, PH 6.6-7.2, 24-32% PEG 4000, 200 MM AMMONIUM ACETATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	acetate	50 (mM)
3	1	reservoir	PEG4000	24-32 (%)
4	1	reservoir	ammonium acetate	200 (mM)