5E57

Crystal structure of Mycobacterium smegmatis AmtR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954
Spacegroup name	C 1 2 1
Unit cell lengths	181.850, 105.790, 39.570
Unit cell angles	90.00, 94.46, 90.00

Refinement procedure

Resolution	37.250 - 1.980
R-factor	0.2072
Rwork	0.205
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.876
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.2.17)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.250	37.250	2.030
High resolution limit [Å]	1.980	9.080	1.980
Rmerge	0.107	0.057	0.694
Rpim	0.043	0.024	0.304
Total number of observations	336413	3487	18392
Number of reflections	50329
<I/σ(I)>	9.6	22.1	2.1
Completeness [%]	97.1	96.9	90.5
Redundancy	6.7	6.3	5.7
CC(1/2)	0.997	0.997	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	Na acetate, Na formate,