8A0D

Crystal structure of the major guinea pig allergen Cav p 1.0101 part of the lipocalin family

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	P 21 21 21
Unit cell lengths	74.440, 122.850, 123.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 3.685
R-factor	0.2566
Rwork	0.256
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e5p
RMSD bond length	0.007
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	3.780
High resolution limit [Å]	3.685	3.700
Rmerge	0.272	0.877
Number of reflections	12775	922
<I/σ(I)>	10.2	2.7
Completeness [%]	99.9	100
Redundancy	13.3	12
CC(1/2)	0.992	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	250 nl protein 4 mg/mL Tris-HCl 20 mM pH 7, 250 nl polyvinylpyrrolidone K15 50% w/v, citrate 0.1M pH 5, 50 nL of 6-Aminohexanoic acid 30% w/v and 50 nL of 1-decanol 1 mM in ethanol 1% v/v