7NNF

Crystal structure of Mycobacterium tuberculosis ArgF in apo form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9159
Spacegroup name	P 1 21 1
Unit cell lengths	91.341, 142.381, 98.278
Unit cell angles	90.00, 117.36, 90.00

Refinement procedure

Resolution	71.190 - 1.520
R-factor	0.1693
Rwork	0.169
R-free	0.18280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p2g
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.120	81.120	1.610
High resolution limit [Å]	1.520	4.820	1.520
Rmerge	0.106	0.084	1.156
Rmeas	0.118	0.093	1.325
Rpim	0.050	0.040	0.632
Total number of observations	1731990	57641	209268
Number of reflections	338738	10863	49398
<I/σ(I)>	7.4	17.8	1
Completeness [%]	99.9	99.7	100
Redundancy	5.1	5.3	4.2
CC(1/2)	0.994	0.990	0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	150 mM ammonium dihydrogen phosphate 10 mM praseodymium acetate.