8SR6

Crystal structure of legAS4 from Legionella pneumophila subsp. pneumophila with histone H3 (3-17)peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-09-05
Detector	RAYONIX MX-300
Wavelength(s)	1.1806
Spacegroup name	P 31 2 1
Unit cell lengths	69.320, 69.320, 196.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.210 - 2.220
R-factor	0.1873
Rwork	0.185
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.596
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.210	2.340
High resolution limit [Å]	2.220	2.220
Number of reflections	27729	3836
<I/σ(I)>	14.41
Completeness [%]	99.5
Redundancy	8.4
CC(1/2)	0.997	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1M Bis-Tris 6.5 and 38% PPG P400