9D15

Tt Pah2 D148N delta helix with magnesium and tungstate

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	2021-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	P 43 2 2
Unit cell lengths	60.293, 60.293, 158.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.290 - 2.250
R-factor	0.2016
Rwork	0.200
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.551
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.290	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.213	3.211
Rmeas	0.222	3.349
Rpim	0.064	0.944
Number of reflections	26448	1412
<I/σ(I)>	11.74	1.67
Completeness [%]	99.9	99.86
Redundancy	12.1	12.5
CC(1/2)	0.986	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	30% PEG 3000, 0.1 M CHES pH 8.5 - 9.5 + soak with 50 mM magnesium chloride and 5 mM sodium tungstate