5OTJ

Monomeric polcalcin (Phl p 7) in complex with two identical allergen-specific antibodies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	52.760, 178.671, 66.070
Unit cell angles	90.00, 94.82, 90.00

Refinement procedure

Resolution	52.999 - 2.350
R-factor	0.2008
Rwork	0.199
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3H42 1RZF
RMSD bond length	0.002
RMSD bond angle	0.527
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.780	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.104	0.591
Number of reflections	46391	4267
<I/σ(I)>	5.7	2
Completeness [%]	91.8	92
Redundancy	2.3	2
CC(1/2)	0.984	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M MES pH 6.5 15% PEG 6000 5% MPD