1TS5

I140T 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	1996-11
Detector	SIEMENS
Spacegroup name	P 61
Unit cell lengths	104.170, 104.170, 98.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.179
Rwork	0.179
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TSS
RMSD bond length	0.006
RMSD bond angle	1.590
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	3.200
High resolution limit [Å]	3.100	3.100
Rmerge	0.132 *	0.570 *
Total number of observations	11213 *
Number of reflections	115253 *
<I/σ(I)>	4.3	1
Completeness [%]	99.0	100
Redundancy	10.3	15.2

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	drop	protein	10 (mg/ml)
2	1	reservoir	acetate	50 (mM)
3	1	reservoir	PEG4000	4-16 (%)
4	1	reservoir		1 (M)