5VYF

Structure of single chain Fel d 1 bound to a neutralizing antibody

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]	100
Detector technology	CCD
Collection date	2015-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	74.985, 131.480, 148.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	98.400 - 2.900
R-factor	0.22711
Rwork	0.225
R-free	0.25942
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1puo 2r8s
RMSD bond length	0.007
RMSD bond angle	1.174
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.400	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.132	1.000
Rpim	0.055	0.446
Number of reflections	33144	1596
<I/σ(I)>	14.9	1.6
Completeness [%]	99.9	99.8
Redundancy	7.2	6.9
CC(1/2)		0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	calcium acetate, sodium cacodylate, PEG 300