4X7S

Structure of omalizumab Fab fragment crystal form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97626
Spacegroup name	P 21 21 21
Unit cell lengths	64.860, 73.410, 140.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.606 - 1.900
R-factor	0.2013
Rwork	0.200
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xa8
RMSD bond length	0.004
RMSD bond angle	0.931
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.610	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	53406
<I/σ(I)>	12.73	0.71
Completeness [%]	99.8	98.52
Redundancy	6.4	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	HEPES, MPD