9GRS

Crystal structure of HRP-2 PWWP domain in complex with compound 8

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91165
Spacegroup name	P 21 21 21
Unit cell lengths	41.688, 41.940, 157.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.870 - 1.660
R-factor	0.2228
Rwork	0.221
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.608
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.870	1.740
High resolution limit [Å]	1.660	1.660
Rmerge	0.072	2.134
Rmeas	0.075	2.216
Rpim	0.021	0.593
Total number of observations	456937	67899
Number of reflections	34050	4910
<I/σ(I)>	15.2	1.2
Completeness [%]	100.0
Redundancy	13.4	13.8
CC(1/2)	0.999	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.2 M ammonium sulfate, 0.2 M ammonium iodide