7NNY

Crystal structure of Mycobacterium tuberculosis ArgF in complex with naphthalen-1-ol.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	91.947, 143.785, 97.278
Unit cell angles	90.00, 117.60, 90.00

Refinement procedure

Resolution	48.970 - 1.570
R-factor	0.167
Rwork	0.166
R-free	0.18420
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]	86.210	86.210	1.660
High resolution limit [Å]	1.570	4.970	1.570
Rmerge	0.048	0.024	1.072
Rmeas	0.054	0.027	1.255
Rpim	0.023	0.011	0.632
Total number of observations	1448621	51326	105414
Number of reflections	294032	9979	31609
<I/σ(I)>	15.4	52.6	0.9
Completeness [%]	94.6	99.8	69.8
Redundancy	4.9	5.1	3.3
CC(1/2)	0.999	0.999	0.424

Crystallization Conditions

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