6RVC

Crystal structure of Patched-1 ectodomain 2 (PTCH1-ECD2) in complex with nanobody 75

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	76.180, 101.120, 106.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.160 - 2.200
R-factor	0.20562
Rwork	0.204
R-free	0.24073
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dmy
RMSD bond length	0.008
RMSD bond angle	1.455
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.160	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.164
Rpim	0.059	0.722
Number of reflections	42185	3069
<I/σ(I)>	9.8	1.1
Completeness [%]	99.7	99.3
Redundancy	8.6	8.3
CC(1/2)	0.997	0.391

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M sodium nitrate, 20% (w/v) PEG 3350