6TPK

Crystal structure of the human oxytocin receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	104.15
Detector technology	PIXEL
Collection date	2019-03-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	76.987, 78.858, 283.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.843 - 3.200
R-factor	0.2523
Rwork	0.252
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	protein
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.590	47.590	3.420
High resolution limit [Å]	3.200	9.050	3.200
Rmerge	0.489	0.105	5.359
Total number of observations	472505	22175	86063
Number of reflections	14739	730	2616
<I/σ(I)>	7.5	24.8	1.1
Completeness [%]	99.9	99.4	99.7
Redundancy	32.1	30.4	32.9
CC(1/2)	0.998	0.998	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	ADA, PEG400, NaH2PO4, TCEP