6RTX

Crystal structure of the Patched-1 (PTCH1) ectodomain 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	49.170, 65.680, 100.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.140 - 1.950
R-factor	0.19929
Rwork	0.196
R-free	0.25696
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rty
RMSD bond length	0.008
RMSD bond angle	1.429
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]	50.140	1.990
High resolution limit [Å]	1.950	1.950
Rmerge	0.129
Rpim	0.055	0.525
Number of reflections	24282	1168
<I/σ(I)>	10.7	1.4
Completeness [%]	100.0	99.1
Redundancy	6.4	5.7
CC(1/2)	0.998	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M bicine/Trizma base pH 8.5, 0.03M of each ethylene glycol (diethyleneglycol, triethyleneglycol, tetraethyleneglycol and pentaethyleneglycol), 12.5% (v/v) MPD, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350