6KNW

THRb mutation with a novel agonist

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	2018-06-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	106.301, 106.301, 57.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.984 - 2.670
R-factor	0.1702
Rwork	0.166
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ACM
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.720
High resolution limit [Å]	2.666	7.240	2.670
Rmerge	0.080	0.039	0.550
Rmeas	0.082	0.041	0.562
Rpim	0.018	0.013	0.112
Number of reflections	9857	569	478
<I/σ(I)>	11.1
Completeness [%]	100.0	99.3	100
Redundancy	23.7	12.8	25.1
CC(1/2)		0.998	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM Nacl 20% PEG 4000