8FW8

MtrR from Neisseria gonorrhoeae bound to Progesterone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97741
Spacegroup name	I 1 2 1
Unit cell lengths	58.180, 85.048, 211.805
Unit cell angles	90.00, 91.24, 90.00

Refinement procedure

Resolution	48.010 - 2.310
Rwork	0.210
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8fw0
RMSD bond length	0.008
RMSD bond angle	0.828
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.010	2.400
High resolution limit [Å]	2.310	2.310
Number of reflections	44481	4510
<I/σ(I)>	14.6
Completeness [%]	98.1
Redundancy	3.3
CC(1/2)	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1200 mM Sodium phosphate monobasic/800 mM Potassium phosphate dibasic, 100 mM CAPS/Sodium hydroxide pH 10.5, 200 mM Lithium Sulfate