9I7C

Crystal structure of wild-type HRP-2 PWWP domain - Crystal form P212121 type 1

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	41.396, 41.784, 157.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.630 - 1.550
R-factor	0.22095
Rwork	0.219
R-free	0.26142
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.660
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.630	1.630
High resolution limit [Å]	1.550	1.550
Rmerge	0.065	1.556
Rmeas	0.067	1.615
Rpim	0.018	0.431
Total number of observations	550728	80810
Number of reflections	40910	5842
<I/σ(I)>	17.4	1.6
Completeness [%]	100.0
Redundancy	13.5	13.8
CC(1/2)	0.999	0.662

Crystallization Conditions

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