8GTM

Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C203 by XFEL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	PAL-XFEL BEAMLINE NCI
Synchrotron site	PAL-XFEL
Beamline	NCI
Temperature [K]	298
Detector technology	CCD
Collection date	2020-01-16
Detector	RAYONIX MX225-HS
Wavelength(s)	1.278
Spacegroup name	C 1 2 1
Unit cell lengths	95.660, 70.650, 86.750
Unit cell angles	90.00, 97.82, 90.00

Refinement procedure

Resolution	56.640 - 2.600
R-factor	0.2205
Rwork	0.219
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k5y
RMSD bond length	0.012
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.640	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	18380	1832
<I/σ(I)>	4.87	1.25
Completeness [%]	100.0
Redundancy	113.8
CC(1/2)	0.981	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	4.5	293	0.05M Na-Citrate(4.5), 0.06M NaCl 20~30% PEG 400(w/v)