8Z39

Crystal structure of Sonic hedgehog in complex with antibody 5E1 mutant L-T56A with 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	C 1 2 1
Unit cell lengths	97.519, 70.005, 119.974
Unit cell angles	90.00, 109.24, 90.00

Refinement procedure

Resolution	48.650 - 1.800
R-factor	0.18107
Rwork	0.180
R-free	0.20775
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.676
Data reduction software	XDS (20180409)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.650	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.088	0.790
Rpim	0.043	0.403
Number of reflections	70681	4192
<I/σ(I)>	10.6	2.1
Completeness [%]	99.9	100
Redundancy	5.1	4.8
CC(1/2)	0.996	0.759

Crystallization Conditions

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