9QDR

Structure of Staphylococcus aureus MarR-type repressor MhqR

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	2020-06-10
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.97626
Spacegroup name	P 21 21 21
Unit cell lengths	51.920, 69.430, 71.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.860 - 1.550
R-factor	0.1866
Rwork	0.185
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.326
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.860	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.133
Rmeas	0.139
Rpim	0.038
Number of reflections	38191	2589
<I/σ(I)>	11.04	1.79
Completeness [%]	99.8	96.68
Redundancy	13	12.2
CC(1/2)	0.998	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	295.15	0.1 M phosphate-citrate pH 4.0 30% PEG 300