6WJP

Crystal structure of Arginine Repressor P115Q mutant from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4586
Spacegroup name	P 21 3
Unit cell lengths	83.341, 83.341, 83.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.271 - 1.701
R-factor	0.1805
Rwork	0.173
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jvo
RMSD bond length	0.008
RMSD bond angle	0.936
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.271	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.055	2.587
Rmeas	0.056	2.656
Number of reflections	21469	3400
<I/σ(I)>	48.98	1.15
Completeness [%]	99.9	99.5
Redundancy	35.1	19.4
CC(1/2)	1.000	0.369

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	2.0 M Sodium Formate, pH 7.5