7HHF

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1267773633

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	41.710, 42.430, 160.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.050 - 1.860
R-factor	0.20176
Rwork	0.199
R-free	0.24968
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.662
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]	53.470	1.910
High resolution limit [Å]	1.860	1.860
Rmerge	0.096	2.320
Rmeas	0.105	2.516
Rpim	0.042	0.965
Total number of observations	156058	11710
Number of reflections	24723	1772
<I/σ(I)>	9.4	0.8
Completeness [%]	99.7
Redundancy	6.3	6.6
CC(1/2)	0.998	0.347

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