5XZ0

Staphylococcal Enterotoxin B (SEB) mutant S19 - N23A, Y90A, R110A and F177A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	C 2 2 2
Unit cell lengths	174.565, 174.630, 48.769
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.153 - 3.002
R-factor	0.2077
Rwork	0.204
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c56 4rgm
RMSD bond length	0.003
RMSD bond angle	0.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.153	3.053
High resolution limit [Å]	3.001	3.002
Number of reflections	15421
<I/σ(I)>	16.5
Completeness [%]	99.8	98
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	0.2M Potassium Fluoride 20% w/v PEG 3350