5NB2

Crystal structures of homooligomers of collagen type IV. alpha2NC1

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	2015-06-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	94.330, 94.330, 225.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	112.810 - 2.500
R-factor	0.2477
Rwork	0.246
R-free	0.27940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1li1
RMSD bond length	0.008
RMSD bond angle	1.338
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	112.809	112.809	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.037	1.688
Rmeas	0.137	0.038	1.721
Rpim	0.027	0.008	0.333
Total number of observations	456608	14315	68350
Number of reflections	18124
<I/σ(I)>	24.1	72.6	2.4
Completeness [%]	100.0	99.9	100
Redundancy	25.2	21.5	26.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	22% polyvinylpyrrolidone K15, 0.1M Na2SO4 and Mes pH 6.5