8GTI

Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C205 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	2019-11-11
Detector	RAYONIX MX-225
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 - 2.200
R-factor	0.2093
Rwork	0.208
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k5y
RMSD bond length	0.009
RMSD bond angle	1.054
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.640	2.227
High resolution limit [Å]	2.200	2.200
Number of reflections	29223	2916
<I/σ(I)>	8.14	1.26
Completeness [%]	99.8	99.76
Redundancy	429.2
CC(1/2)	0.996	0.670

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)