7UWW

Sas6 with alpha-cyclodextrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	69.450, 82.530, 213.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.995 - 1.610
R-factor	0.1697
Rwork	0.168
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7uwu
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.650
High resolution limit [Å]	1.610	7.200	1.610
Rmerge	0.092	0.060	1.799
Rmeas	0.095	0.063	1.889
Rpim	0.025	0.017	0.563
Total number of observations	1690626	25810	29309
Number of reflections	122358	1956	2727
<I/σ(I)>	16	36.3	1.1
Completeness [%]	77.0	98.6	23.5
Redundancy	13.8	13.2	10.7
CC(1/2)	0.999	0.998	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7	293	PEG 3350, Potassium thiocyanate, TEW