8PXE

Crystal structure of the N-terminal dimerisation domain of Hh1141

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	66.004, 66.004, 113.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.670 - 3.230
R-factor	0.187
Rwork	0.184
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.664
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.1_3469)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.670	46.670	3.430
High resolution limit [Å]	3.230	9.520	3.230
Rmerge	0.170	0.045	1.732
Rmeas	0.178	0.048	1.804
Number of reflections	4360	205	675
<I/σ(I)>	14.75
Completeness [%]	99.8
Redundancy	12.14
CC(1/2)	0.997	0.997	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	PACT F8 | 0.2 M sodium sulfate, 0.1 M Bis Tris propane 6.5, 20 % w/v PEG 3350. 30% EDO used as cryoprotectant.