7HHM

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z234898257

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	41.387, 42.061, 158.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.240 - 1.780
R-factor	0.20085
Rwork	0.198
R-free	0.25206
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.570
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]	79.240	1.880
High resolution limit [Å]	1.780	1.780
Rmerge	0.109	1.937
Rmeas	0.119	2.101
Rpim	0.047	0.805
Total number of observations	153312	25187
Number of reflections	24937	3829
<I/σ(I)>	8.4	0.9
Completeness [%]	90.8
Redundancy	6.1	6.6
CC(1/2)	0.998	0.416

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