8Z3A

Crystal structure of Sonic hedgehog in complex with antibody 5E1 without metals

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	69.370, 83.990, 126.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.670 - 1.750
R-factor	0.17677
Rwork	0.175
R-free	0.20745
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.825
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.500	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.117	0.943
Rpim	0.040	0.339
Number of reflections	75399	10836
<I/σ(I)>	11.8	2.3
Completeness [%]	99.9	99.7
Redundancy	9.3	8.5
CC(1/2)	0.997	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200mM KNO3, 20% PEG 3350