1TS3

H135A 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	1997-08
Detector	SIEMENS
Spacegroup name	C 2 2 21
Unit cell lengths	108.450, 176.650, 97.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.178 *
Starting model (for MR)	1TSS
RMSD bond length	0.016
RMSD bond angle	2.600
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	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.065 *	0.377 *
Total number of observations	672210 *
Number of reflections	63452
<I/σ(I)>	10.5	1
Completeness [%]	100.0	98
Redundancy	10.6	6.46

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)