9V4L

Crustal structure of de novo designed zinc binding protein ZK2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	181
Detector technology	PIXEL
Collection date	2022-08-24
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	34.245, 41.057, 47.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.620 - 1.300
Rwork	0.174
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.782
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.620	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.034	0.264
Rmeas	0.038	0.301
Rpim	0.016	0.143
Number of reflections	16849	1536
<I/σ(I)>	27.65	5.24
Completeness [%]	96.7	92.98
Redundancy	5.3	4.2
CC(1/2)	1.000	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		291	30% (w/v) PEG 2000 MME, 150 mM Potassium bromide