7HGI

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z57475068

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	41.640, 42.350, 159.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.880 - 1.710
R-factor	0.20692
Rwork	0.205
R-free	0.24767
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.759
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]	79.880	1.750
High resolution limit [Å]	1.710	1.710
Rmerge	0.128	2.021
Rmeas	0.140	2.196
Rpim	0.056	0.850
Total number of observations	200417	14936
Number of reflections	31407	2289
<I/σ(I)>	7.4	0.9
Completeness [%]	99.7
Redundancy	6.4	6.5
CC(1/2)	0.995	0.324

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