1DYQ

STAPHYLOCOCCAL ENTEROTOXIN A MUTANT VACCINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	120
Detector technology	CCD
Collection date	1999-09-15
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	39.048, 78.652, 86.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.187 - 1.500
R-factor	0.191 *
Rwork	0.191
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1esf
RMSD bond length	0.016
RMSD bond angle	2.069 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	EPMR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.190	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.062 *	0.135 *
Total number of observations	158285 *
Number of reflections	35972	1143 *
<I/σ(I)>	7	4.4
Completeness [%]	82.8	37.2 *
Redundancy	4.5	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	4 *	HANGING DROP OVER 1 ML WELL, 4 + 4 UL DROPS, WELL SOLUTION 10% PEG6K, 5% MPD IN 0.1 M HEPES PH 7.8, TEMPERATURE 4 DEG, 3-4 WEEKS.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	10 (%)
2	1	reservoir	MPD	5 (%)
3	1	reservoir	HEPES	0.1 (M)	pH7.8
4	1	drop	protein	2 (mg/ml)