1TS2

T128A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1997-06
Detector	SIEMENS
Spacegroup name	C 2 2 21
Unit cell lengths	108.840, 177.400, 97.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.16 *
Starting model (for MR)	1TSS
RMSD bond length	0.009
RMSD bond angle	1.740
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.096 *	0.359 *
Total number of observations	441613 *
Number of reflections	38992
<I/σ(I)>	6.7	1.2
Completeness [%]	91.0	51
Redundancy	11.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4	18 *	pH 4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	acetate	50 (mM)
2	1	reservoir	PEG4000	4-16 (%)
3	1	reservoir		1 (M)
4	1	drop	protein	10 (mg/ml)