6Y45

Crystal Structure of the H33A variant of RsrR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-23
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.980110
Spacegroup name	P 1 21 1
Unit cell lengths	37.920, 117.000, 71.330
Unit cell angles	90.00, 95.83, 90.00

Refinement procedure

Resolution	45.140 - 1.680
R-factor	0.1613
Rwork	0.159
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hsd
RMSD bond length	0.007
RMSD bond angle	1.320
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.140	1.780
High resolution limit [Å]	1.680	1.680
Rmerge	0.053	1.430
Rmeas	0.062	1.660
Number of reflections	68787	10773
<I/σ(I)>	12.02	0.67
Completeness [%]	96.5
Redundancy	3.9
CC(1/2)	0.999	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	NaCl, MPD, MES, dithionite, anaerobic