7HGP

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z19735067

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	41.544, 42.085, 159.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.720 - 1.620
R-factor	0.21263
Rwork	0.210
R-free	0.25282
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.759
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]	40.690	1.710
High resolution limit [Å]	1.620	1.620
Rmerge	0.069	1.035
Rmeas	0.081	1.222
Rpim	0.042	0.640
Total number of observations	119996	16737
Number of reflections	34464	4996
<I/σ(I)>	8.6	1
Completeness [%]	95.4
Redundancy	3.5	3.4
CC(1/2)	0.998	0.417

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