9I2P

Crystal structure of Listeria monocytogenes ChiA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95374
Spacegroup name	P 1
Unit cell lengths	54.041, 59.146, 67.609
Unit cell angles	94.31, 110.69, 111.60

Refinement procedure

Resolution	45.592 - 1.950
Rwork	0.180
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.804
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.670	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.123	0.344
Number of reflections	48104	3600
<I/σ(I)>	5.1
Completeness [%]	93.0	93.7
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	10% (w/v) PEG 4000, 20% (w/v) glycerol, 20 mM 1,6-hexanediol, 20 mM 1-butanol, 20 mM (RS)-1,2-propanediol, 20 mM 2-propanol, 20 mM 1,4-butanediol, 20 mM 1,3-propanediol, 100 mM 2-(N-morpholino) ethane sulfonic acid (MES), 100 mM imidazole