6PYB

Sex Hormone-binding globulin mutant E176K in complex with DVT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	P 43 2 2
Unit cell lengths	51.953, 51.953, 148.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.490 - 1.800
R-factor	0.206
Rwork	0.203
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.15.2_3472))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.670	29.670	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.062	0.034	1.075
Total number of observations	254680	2006	15066
Number of reflections	19752	208	1133
<I/σ(I)>	22.2	59.8	2.6
Completeness [%]	100.0	97.3	100
Redundancy	12.9	9.6	13.3
CC(1/2)	0.999	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	PEG 3350, Potassium thiocyanate