7F61

Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0330
Spacegroup name	P 21 21 2
Unit cell lengths	71.124, 165.624, 42.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.896 - 2.600
Rwork	0.229
R-free	0.28460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u15
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.146	0.610
Number of reflections	16071	1448
<I/σ(I)>	6.78
Completeness [%]	98.5
Redundancy	5.2
CC(1/2)	0.982	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		294	100mM sodium cacodylate trihydrate, pH6.4, 90mM sodium citrate, 34% PEG400, 2% Dichloromethane