7HGJ

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z751811134

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	41.528, 41.998, 157.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.980 - 1.750
R-factor	0.19447
Rwork	0.192
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.634
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]	78.980	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.072	1.552
Rmeas	0.080	1.713
Rpim	0.034	0.714
Total number of observations	149796	22558
Number of reflections	28396	4089
<I/σ(I)>	12	1.1
Completeness [%]	98.6
Redundancy	5.3	5.5
CC(1/2)	0.999	0.481

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