7HGZ

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1509882419

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	41.660, 42.161, 158.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.360 - 1.650
R-factor	0.21348
Rwork	0.211
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.729
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]	79.360	1.730
High resolution limit [Å]	1.650	1.650
Rmerge	0.068	0.997
Rmeas	0.076	1.142
Rpim	0.032	0.542
Total number of observations	167196	18072
Number of reflections	34337	4780
<I/σ(I)>	9.4	0.9
Completeness [%]	98.5
Redundancy	4.9	3.8
CC(1/2)	0.998	0.435

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