6NND

Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate

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	2018-04-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4
Spacegroup name	P 21 21 21
Unit cell lengths	60.981, 70.863, 72.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.563 - 1.700
R-factor	0.1723
Rwork	0.170
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.2.8)
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.563	46.560	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.063	0.046	0.607
Rmeas	0.066	0.048	0.686
Rpim	0.019	0.014	0.310
Number of reflections	34680	291	1536
<I/σ(I)>	25.1
Completeness [%]	98.8	99.4	84.4
Redundancy	11.4	10.3	4.4
CC(1/2)	0.999	0.999	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1.8 M Ammonium Sulphate, 10 mM colbalt chloride, 100 mM MES