6GVL

Second pair of Fibronectin type III domains of integrin beta4 bound to the bullous pemphigoid antigen BP230 (BPAG1e)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	104.520, 60.730, 40.780
Unit cell angles	90.00, 113.71, 90.00

Refinement procedure

Resolution	47.850 - 2.050
R-factor	0.225
Rwork	0.224
R-free	0.23630
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	D_1200010415
RMSD bond length	0.002
RMSD bond angle	0.496
Data reduction software	XDS (May 1, 2016)
Data scaling software	XSCALE (May 1, 2016)
Phasing software	PHENIX (dev_2499)
Refinement software	PHENIX ((dev_2499: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.050	2.050
Rmeas	0.010	1.950
Number of reflections	14766	1091
<I/σ(I)>	11.7	1.28
Completeness [%]	99.5	100
Redundancy	6.7	6.9
CC(1/2)	0.998	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	298	0.1 phosphate-citrate pH 4.2, 20% PEG 8000, 0.2 M NaCl