6G1B

Corynebacterium glutamicum OxyR, oxidized form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95372
Spacegroup name	C 1 2 1
Unit cell lengths	161.307, 46.186, 116.692
Unit cell angles	90.00, 121.92, 90.00

Refinement procedure

Resolution	99.050 - 2.280
R-factor	0.1979
Rwork	0.196
R-free	0.23020
RMSD bond length	0.011
RMSD bond angle	1.471
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.070	46.070	2.360
High resolution limit [Å]	2.280	8.850	2.280
Rmerge	0.120	0.069	0.955
Rmeas	0.134	0.079	1.062
Rpim	0.059	0.036	0.459
Total number of observations	165386	2699	15489
Number of reflections	32352	579	3025
<I/σ(I)>	8.1	24.6	1.5
Completeness [%]	96.6	91.6	93.3
Redundancy	5.1	4.7	5.1
CC(1/2)	0.993	0.987	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 4000, sodium cacodylate, magnesium acetate, nicotinamide adenine dinucelotide hydrate