5BQB

Crystal structure of Norrin, a Wnt signalling activator, Crystal Form III

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	2014-02-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	C 1 2 1
Unit cell lengths	86.761, 38.095, 177.197
Unit cell angles	90.00, 93.97, 90.00

Refinement procedure

Resolution	44.190 - 2.300
R-factor	0.2228
Rwork	0.221
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bpu
RMSD bond length	0.004
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	Aimless (0.2.17)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.190	44.190	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.063	0.031	0.800
Rpim	0.028	0.015	0.360
Total number of observations	151301	2522	15315
Number of reflections	26073
<I/σ(I)>	16.7	52.4	2
Completeness [%]	99.2	98	97.7
Redundancy	5.8	5.1	6
CC(1/2)	0.999	0.998	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1M citrate, pH 5.0, 30% PEG6000