8Z2V

Crystal structure of Sonic hedgehog in complex with antibody 5E1 mutant H-R102A with metals

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	96.641, 69.752, 119.270
Unit cell angles	90.00, 108.73, 90.00

Refinement procedure

Resolution	56.480 - 1.890
R-factor	0.18747
Rwork	0.186
R-free	0.22514
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.140
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.480	1.990
High resolution limit [Å]	1.890	1.890
Rmerge	0.064	0.436
Rpim	0.032	0.226
Number of reflections	58458	8161
<I/σ(I)>	11.8	3.2
Completeness [%]	97.3	93.1
Redundancy	4.9
CC(1/2)	0.999	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200mM MgCl2, 20% PEG 3350