4XCC

Crystal structure of human 4E10 Fab crystalized in the presence of Phosphatidylcholine (06:0 PC); I422 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2013-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	I 4 2 2
Unit cell lengths	108.071, 108.071, 186.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.781 - 2.810
R-factor	0.2239
Rwork	0.221
R-free	0.27220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fx7
RMSD bond length	0.003
RMSD bond angle	0.637
Data reduction software	HKL-2000 (HKL-2000 version 705b)
Data scaling software	HKL-2000 (HKL-2000 version 705b)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.781	2.860
High resolution limit [Å]	2.810	2.810
Rmerge		0.593
Number of reflections	12759
<I/σ(I)>	16	5.3
Completeness [%]	92.1	95.1
Redundancy	8.6	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	Sitting drops contain 4E10 Fab at 10 mg/ml, 10 mM Phosphatidylcholine (06:0 PC) sample mixed (1:1 v/v) with a reservoir solution of 0.2 M di-sodium tartrate, 20% PEG 3350