6PYA

Sex Hormone-binding globulin mutant E176K in complex with IPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 43 2 2
Unit cell lengths	52.241, 52.241, 147.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.120 - 1.710
R-factor	0.1879
Rwork	0.185
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.120	26.120	1.740
High resolution limit [Å]	1.710	9.050	1.710
Rmerge	0.060	0.038	0.592
Total number of observations	277976	2017	15782
Number of reflections	23105	203	1224
<I/σ(I)>	23.2	46.5	3.8
Completeness [%]	100.0	96.2	100
Redundancy	12	9.9	12.9
CC(1/2)	0.999	0.999	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	20% Peg 3350, 0.2 M potassium thiocyanate, HEPES pH 7.5, 2.5 mM Calcium Chloride