6CVF

Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine diphosphate

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	2017-07-07
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.7108
Spacegroup name	P 21 21 21
Unit cell lengths	54.880, 104.750, 153.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.577 - 2.300
R-factor	0.1803
Rwork	0.177
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.869
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.690	51.690	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.113	0.048	0.446
Number of reflections	39464	796	3750
<I/σ(I)>	13.7
Completeness [%]	98.2	99.3	96.8
Redundancy	6.9	6.1	6.3
CC(1/2)	0.996	0.994	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289.15	0.7M NaCitrate, 0.1M Tris pH 7, 20% glycerol