5NAY

Crystal structures of homooligomers of collagen type IV. alpha1NC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87
Spacegroup name	P 21 21 21
Unit cell lengths	94.851, 127.045, 130.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.120 - 1.800
R-factor	0.1767
Rwork	0.175
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t60
RMSD bond length	0.009
RMSD bond angle	1.273
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.046	5.690	1.900
High resolution limit [Å]	1.800	4.020	1.800
Rmerge		0.037	0.388
Rmeas	0.090	0.044	0.463
Rpim	0.048	0.023	0.248
Total number of observations	479345
Number of reflections	142960
<I/σ(I)>	10.7	14.9	1.9
Completeness [%]	98.2	94.7	99
Redundancy	3.4	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	1.4 M lithium sulfate and 0.1 M Mes pH 6.5