7WG4

DVAA-KlAte1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00003
Spacegroup name	P 43 21 2
Unit cell lengths	86.460, 86.460, 160.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.570 - 1.510
R-factor	0.1866
Rwork	0.185
R-free	0.21610
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.360
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.570	1.564
High resolution limit [Å]	1.510	1.510
Number of reflections	93627	9062
<I/σ(I)>	17.27
Completeness [%]	97.6
Redundancy	17.7
CC(1/2)	0.999	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	60mM Divalents (Molecular dimensions), 100mM buffer system 2 pH 7.5 (Molecular dimensions), 33% (v/v) precipitant Mix 4 (Molecular dimensions)