9FB1

Crystal structure of Rv2242 regulator N-terminal fragment (1-160)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 41 2 2
Unit cell lengths	107.190, 107.190, 176.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.570 - 3.590
R-factor	0.2535
Rwork	0.250
R-free	0.32490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.832
Data reduction software	autoPROC (1.0.5)
Data scaling software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.570	3.762
High resolution limit [Å]	3.590	3.593
Rmerge	0.169	1.628
Rmeas	0.172	1.660
Number of reflections	10989	549
<I/σ(I)>	11.3	2.3
Completeness [%]	95.0	76.5
Redundancy	26.2
CC(1/2)	0.999	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	200 mM NaBr, 100 mM Bis-Tris propane, pH 8.5, 20% (w/w) PEG3350, temperature 293.15 K, vapor diffusion, hanging drop