2R56

Crystal Structure of a Recombinant IgE Fab Fragment in Complex with Bovine Beta-Lactoglobulin Allergen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	67.040, 100.640, 168.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
Rwork	0.246
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dfb 1b8e
RMSD bond length	0.009
RMSD bond angle	1.239
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	28674
<I/σ(I)>	13.1	3.54
Completeness [%]	99.8	100
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	14 % PEG3350, 0.1 M BTP, n-dodecyl-beta-D-maltoside, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K