6PYF

Sex Hormone-binding globulin mutant E176K in complex with Estradiol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 43 2 2
Unit cell lengths	51.876, 51.876, 149.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.629 - 1.730
R-factor	0.1866
Rwork	0.183
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lhu
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15.23472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.630	42.630	1.760
High resolution limit [Å]	1.730	8.990	1.730
Rmerge	0.019	0.007	0.252
Total number of observations	41097	300	2222
Number of reflections	22292	211	1174
<I/σ(I)>	22.5	47.9	3.4
Completeness [%]	100.0	98.1	100
Redundancy	1.8	1.4	1.9
CC(1/2)	1.000	1.000	0.868

Crystallization Conditions

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