6HSD

Crystal structure of the oxidized form of the transcription regulator RsrR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.945
Spacegroup name	P 1 21 1
Unit cell lengths	36.290, 94.510, 99.940
Unit cell angles	90.00, 93.24, 90.00

Refinement procedure

Resolution	47.260 - 1.600
R-factor	0.1426
Rwork	0.140
R-free	0.19030
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.436
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.260	47.260	1.660
High resolution limit [Å]	1.600	6.200	1.600
Rmerge	0.040	0.025	1.436
Rmeas	0.047	0.029	1.662
Rpim	0.024	0.015	0.828
Total number of observations	332569
Number of reflections	87187	1537	8413
<I/σ(I)>	19.5
Completeness [%]	98.6	98	96.7
Redundancy	3.8	3.6	3.9
CC(1/2)	0.999	0.999	0.375

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	NaCl, PEG6000, MES, anaerobic
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	NaCl, PEG6000, MES, anaerobic