7HG9

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z131516158

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	41.580, 42.250, 160.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.890 - 1.580
R-factor	0.21346
Rwork	0.211
R-free	0.25409
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.867
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]	42.250	1.620
High resolution limit [Å]	1.580	1.580
Rmerge	0.077	1.680
Rmeas	0.084	1.863
Rpim	0.034	0.798
Total number of observations	245924	15630
Number of reflections	39746	2908
<I/σ(I)>	10.5	0.9
Completeness [%]	99.9
Redundancy	6.2	5.4
CC(1/2)	0.998	0.357

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