9I7G

Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P21 type 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97242
Spacegroup name	P 1 21 1
Unit cell lengths	50.200, 41.172, 70.567
Unit cell angles	90.00, 100.37, 90.00

Refinement procedure

Resolution	69.410 - 1.930
R-factor	0.24589
Rwork	0.243
R-free	0.30952
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.617
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]	69.410	2.040
High resolution limit [Å]	1.930	1.930
Rmerge	0.087	0.918
Rmeas	0.107	1.129
Rpim	0.062	0.647
Total number of observations	56612	8402
Number of reflections	20685	3042
<I/σ(I)>	7.4	1.2
Completeness [%]	96.4
Redundancy	2.7	2.8
CC(1/2)	0.996	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.5 M Ammonium sulfate