6E8A

Crystal structure of DcrB from Salmonella enterica at 1.92 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97851
Spacegroup name	P 65 2 2
Unit cell lengths	41.715, 41.715, 533.438
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.490 - 1.920
R-factor	0.2226
Rwork	0.222
R-free	0.23460
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.218
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.500	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.097	1.790
Rmeas	0.099	1.820
Rpim	0.017	0.310
Number of reflections	22978	1086
<I/σ(I)>	21.2	2.2
Completeness [%]	99.2	100
Redundancy	36.4	32.7
CC(1/2)	0.998	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	298	2.0 M ammonium sulfate, 100 mM Tris pH 8.6