7HGK

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z31721798

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-19
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.918076
Spacegroup name	P 21 21 21
Unit cell lengths	41.583, 42.028, 158.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.130 - 1.590
R-factor	0.21212
Rwork	0.210
R-free	0.25332
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.731
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.130	1.670
High resolution limit [Å]	1.590	1.590
Rmerge	0.057	1.867
Rmeas	0.062	2.064
Rpim	0.024	0.869
Total number of observations	242606	30571
Number of reflections	38526	5545
<I/σ(I)>	13.7	0.8
Completeness [%]	100.0
Redundancy	6.3	5.5
CC(1/2)	0.999	0.427

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	28% PEG MME 2000; 0.15 M ammonium sulfate; 0.1 M sodium acetate pH 4.6