9GRT

Crystal structure of HRP-2 PWWP domain in complex with compound 29

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	2019-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91165
Spacegroup name	P 21 21 21
Unit cell lengths	41.144, 41.633, 157.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.250 - 1.640
R-factor	0.2316
Rwork	0.230
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.807
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]	78.640	1.720
High resolution limit [Å]	1.640	1.640
Rmerge	0.062	1.825
Rmeas	0.065	1.923
Rpim	0.019	0.599
Total number of observations	387976	50552
Number of reflections	34458	4959
<I/σ(I)>	15	1
Completeness [%]	100.0
Redundancy	11.3	10.2
CC(1/2)	0.999	0.691

Crystallization Conditions

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