8J4Y

Structure of Mycobacterium tuberculosis NrdF2:NrdIcomplex (reduced) determined at 3 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 42 21 2
Unit cell lengths	160.430, 160.430, 310.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.580 - 3.020
R-factor	0.2314
Rwork	0.230
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.426
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.580	3.128
High resolution limit [Å]	3.020	3.020
Number of reflections	80104	7862
<I/σ(I)>	9.7
Completeness [%]	99.9	99.95
Redundancy	47.1	46.8
CC(1/2)	0.912	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	0.1M MES pH 6, 1.4M NaCl, 0.075M sodium phosphate monobasic, 0.075M potassium phosphate monobasic