9I7E

Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P1 type 2

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 1
Unit cell lengths	35.959, 37.866, 41.818
Unit cell angles	63.11, 70.26, 74.37

Refinement procedure

Resolution	36.100 - 1.580
R-factor	0.18044
Rwork	0.178
R-free	0.21631
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.568
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]	36.100	1.660
High resolution limit [Å]	1.580	1.580
Rmerge	0.081	0.594
Rmeas	0.102	0.750
Rpim	0.060	0.451
Total number of observations	55358	9033
Number of reflections	22743	3507
<I/σ(I)>	5.4	1.8
Completeness [%]	90.1
Redundancy	2.4	2.6
CC(1/2)	0.990	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.2 M Ammonium acetate 32.5% PEG 4000 0.1 M Trisodium citrate pH 5.6