7HH5

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z168883358

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	41.667, 42.113, 159.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.590 - 1.660
R-factor	0.20687
Rwork	0.204
R-free	0.25195
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.722
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]	79.590	1.750
High resolution limit [Å]	1.660	1.660
Rmerge	0.105	1.694
Rmeas	0.115	1.849
Rpim	0.045	0.733
Total number of observations	217555	30312
Number of reflections	33976	4875
<I/σ(I)>	8	0.9
Completeness [%]	100.0
Redundancy	6.4	6.2
CC(1/2)	0.997	0.425

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