9IAF

Crystal structure of Arr in complex with Rifampicin and Chr-16

This is a non-PDB format compatible entry.

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	2023-06-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.953745
Spacegroup name	C 1 2 1
Unit cell lengths	56.220, 60.760, 45.550
Unit cell angles	90.00, 93.48, 90.00

Refinement procedure

Resolution	45.466 - 2.200
Rwork	0.187
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.865
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.466	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	7819	569
<I/σ(I)>	12.53	1.87
Completeness [%]	99.4	96.4
Redundancy	10.99	6.69
CC(1/2)	0.999	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	10 mg/ml protein, 1 mM rifampicin, 1 mM inhibitor (Chr-16), 50 mM Tris pH 8.2, 0.2 M MgCl2, 10% (w/v) PEG 8000, 20% (v/v) 2-methyl-2,4-pentanediol