7HGQ

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z94597856

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	40.904, 41.172, 155.822
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.910 - 1.760
R-factor	0.19144
Rwork	0.186
R-free	0.28852
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.824
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]	77.910	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.089	1.039
Rmeas	0.099	1.164
Rpim	0.042	0.508
Total number of observations	83514	8827
Number of reflections	16809	1919
<I/σ(I)>	8.9	1.2
Completeness [%]	77.2
Redundancy	5	4.6
CC(1/2)	0.997	0.508

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