6KRY

Structure of staphylococcal enterotoxin SEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	42.000, 64.420, 50.140
Unit cell angles	90.00, 110.03, 90.00

Refinement procedure

Resolution	47.110 - 1.800
R-factor	0.1724
Rwork	0.171
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.541
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.420	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.113	0.580
Number of reflections	23007	3343
<I/σ(I)>	11.4
Completeness [%]	98.5
Redundancy	6
CC(1/2)	0.996	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	277	10 mM Tris pH 8.0, 2% (v/v) Tacsimate TM pH 4.0, 0.1 M Sodium acetate trihydrate pH 4.6, 16% (W/v) polyethylene glycol 3350.