7P20

High resolution structure of the Juniperus ashei allergen - Jun a 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.254300
Spacegroup name	C 1 2 1
Unit cell lengths	52.424, 49.317, 71.447
Unit cell angles	90.00, 104.89, 90.00

Refinement procedure

Resolution	35.340 - 1.400
R-factor	0.1361
Rwork	0.135
R-free	0.16380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ahn
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.340	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.096	0.145
Rmeas	0.104	0.161
Rpim	0.041	0.069
Number of reflections	34665	3393
<I/σ(I)>	18.44	11.95
Completeness [%]	99.7	97.67
Redundancy	6.2	5.2
CC(1/2)	0.990	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.5	293	Index condition F5 (0.1 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5, and 17% w/v Polyethylene glycol 10,000)