7HHH

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1259335862

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	41.390, 41.960, 158.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.370 - 1.690
R-factor	0.20728
Rwork	0.204
R-free	0.25748
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.633
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]	79.370	1.730
High resolution limit [Å]	1.690	1.690
Rmerge	0.089	2.208
Rmeas	0.097	2.415
Rpim	0.039	0.969
Total number of observations	198752	14296
Number of reflections	31927	2331
<I/σ(I)>	10.2	0.7
Completeness [%]	99.9
Redundancy	6.2	6.1
CC(1/2)	0.998	0.332

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