8QB3

ADDobody zinc containing condition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9780
Spacegroup name	P 21 21 21
Unit cell lengths	101.478, 103.072, 167.224
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.740 - 2.900
R-factor	0.2724
Rwork	0.271
R-free	0.29060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	12.239
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.740	2.950
High resolution limit [Å]	2.900	2.900
Rmerge		0.136
Number of reflections	75083	39593
<I/σ(I)>	5.6
Completeness [%]	100.0
Redundancy	1.9
CC(1/2)	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% w/v PEG 6000, 0.1 M zinc-acetate, 0.1 M HEPES pH 7.0