7HGR

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z104924088

This is a non-PDB format compatible entry.

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	41.650, 42.150, 158.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.770 - 1.410
R-factor	0.20483
Rwork	0.203
R-free	0.23392
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.919
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]	52.890	1.450
High resolution limit [Å]	1.410	1.410
Rmerge	0.055	1.510
Rmeas	0.060	1.730
Rpim	0.024	0.833
Total number of observations	312999	16021
Number of reflections	54709	3849
<I/σ(I)>	12.9	0.9
Completeness [%]	99.5
Redundancy	5.7	4.2
CC(1/2)	0.999	0.333

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