8YYZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-22
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	69.510, 84.080, 126.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.040 - 1.900
Rwork	0.184
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.438
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.040	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.116	0.530
Rpim	0.046	0.230
Number of reflections	58004	7699
<I/σ(I)>	9.4	2.7
Completeness [%]	98.4	91.1
Redundancy	7.3	5.8
CC(1/2)	0.990	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M Ammonium iodide, 20% w/v Polyethylene glycol 3350