7JNP

MtrR bound to the rpoH operator from Neisseria gonorrhoeae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	150.990, 58.125, 68.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.608 - 2.600
R-factor	0.2042
Rwork	0.199
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6of0
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.610	50.610	2.720
High resolution limit [Å]	2.600	9.010	2.600
Rmerge	0.071	0.040	0.340
Rmeas	0.085	0.049	0.406
Rpim	0.045	0.028	0.218
Total number of observations	60808	1468	7408
Number of reflections	18276	470	2197
<I/σ(I)>	6.9	10.1	3.3
Completeness [%]	99.3	98.4	98
Redundancy	3.3	3.1	3.4
CC(1/2)	0.992	0.978	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 mM calcium acetate, 100 mM Tris-HCl pH 7.5, 27% Polyethylene glycol MW-8000