4XQ6

CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENSE from MYCOBACTERIUM TUBERCULOSIS

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	2014-04-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	48.335, 106.921, 65.089
Unit cell angles	90.00, 106.21, 90.00

Refinement procedure

Resolution	23.470 - 2.000
R-factor	0.17895
Rwork	0.176
R-free	0.23120
RMSD bond length	0.017
RMSD bond angle	1.968
Data reduction software	HKL-2000
Data scaling software	DENZO
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	27.000
High resolution limit [Å]	2.000
Number of reflections	39530
<I/σ(I)>	11.64
Completeness [%]	99.3
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	300	22-27% PEG 3350, 0.1M Bis-Tris pH 5.0, 0.2M Mgcl2