7HH1

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z53825177

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	41.630, 42.280, 158.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.480 - 1.530
R-factor	0.20623
Rwork	0.204
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.968
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.480	1.570
High resolution limit [Å]	1.530	1.530
Rmerge	0.076	1.646
Rmeas	0.083	1.835
Rpim	0.033	0.801
Total number of observations	265275	16266
Number of reflections	43442	3170
<I/σ(I)>	10.5	0.9
Completeness [%]	100.0
Redundancy	6.1	5.1
CC(1/2)	0.998	0.359

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