1AW7

Q136A 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 1
Unit cell lengths	49.630, 99.280, 41.330
Unit cell angles	88.50, 93.30, 91.10

Refinement procedure

Resolution	20.000 - 1.950
R-factor	0.176
Rwork	0.176
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TSS
RMSD bond length	0.022
RMSD bond angle	2.370
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	2.010
High resolution limit [Å]	1.950 *	1.950
Rmerge	0.056 *
Total number of observations	157168 *
Number of reflections	50028 *
<I/σ(I)>	12.7	1
Completeness [%]	79.0	37
Redundancy	3.1	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG4000	8-22 (%)
3	1	reservoir	2-propanol	5-15 (%)
4	1	reservoir	HEPES	100 (mM)