4WOP

Nucleotide Triphosphate Promiscuity in Mycobacterium tuberculosis Dethiobiotin Synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	54.560, 104.330, 152.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.000 - 2.393
R-factor	0.1842
Rwork	0.180
R-free	0.25310
RMSD bond length	0.008
RMSD bond angle	1.094
Data reduction software	XDS
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.000		2.540
High resolution limit [Å]	2.390	7.100	2.390
Rmerge	0.105	0.025	0.554
Rmeas	0.130	0.030	0.692
Total number of observations	182745
Number of reflections	64617	2509	10151
<I/σ(I)>	9.3	31.36	1.94
Completeness [%]	97.5	98.5	95
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Crystals grew from the following range of buffers: 0.8 - 1.2 M ammonium sulphate, 0.1 M Tris pH 7 - 8.5 with 10 % glycerol.