6GVK

Second pair of Fibronectin type III domains of integrin beta4 (T1663R mutant) bound to the bullous pemphigoid antigen BP230 (BPAG1e)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	105.580, 59.520, 42.400
Unit cell angles	90.00, 113.50, 90.00

Refinement procedure

Resolution	38.885 - 1.550
R-factor	0.1955
Rwork	0.195
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wtw 4wtx
RMSD bond length	0.004
RMSD bond angle	0.700
Data reduction software	XDS (March 1, 2015)
Data scaling software	XSCALE (March 1, 2015)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.885	38.885	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.055	0.041	3.410
Rmeas	0.056	0.042	3.501
Number of reflections	35010	419	2562
<I/σ(I)>	26.42	81.97	1.53
Completeness [%]	99.7	98.4	99.8
Redundancy	19.985	18.969	19.379
CC(1/2)	1.000	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1 M Na-acetate (pH 5.0), 20% PEG 6000, 0.2 M MgCl2