9GRV

Crystal structure of HRP-2 PWWP domain in complex with compound 37

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	2019-12-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91165
Spacegroup name	P 21 21 21
Unit cell lengths	41.651, 41.928, 157.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.520 - 1.550
R-factor	0.223
Rwork	0.221
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.663
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]	78.830	1.640
High resolution limit [Å]	1.550	1.550
Rmerge	0.068	1.884
Rmeas	0.070	1.955
Rpim	0.019	0.519
Total number of observations	550814	80779
Number of reflections	40936	5839
<I/σ(I)>	14.6	1
Completeness [%]	100.0
Redundancy	13.5	13.8
CC(1/2)	0.999	0.679

Crystallization Conditions

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