9I7J

Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P21212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.99988
Spacegroup name	P 21 21 2
Unit cell lengths	72.332, 193.363, 41.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.680 - 1.800
R-factor	0.19882
Rwork	0.197
R-free	0.22842
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.656
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]	96.680	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.102	1.071
Rmeas	0.111	1.173
Rpim	0.045	0.467
Total number of observations	316035	44563
Number of reflections	52808	7520
<I/σ(I)>	11.1	1.9
Completeness [%]	94.5
Redundancy	6	5.9
CC(1/2)	0.998	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	32.5% PEG 4000 0.1 MSodium citrate pH 5.6