6ION

The complex of C4.4A with its antibody 11H10 Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	51.860, 63.960, 107.710
Unit cell angles	90.00, 96.10, 90.00

Refinement procedure

Resolution	40.144 - 2.750
R-factor	0.1995
Rwork	0.197
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cle 3bt2
RMSD bond length	0.013
RMSD bond angle	1.895
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.144	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.113	0.841
Number of reflections	18267	1809
<I/σ(I)>	8.9
Completeness [%]	98.9
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20% PEG3350, 0.2M Potassium sodium tartrate tetrahydrate, 0.1M Tris-HCl pH 7