7BL7

Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	151.230, 165.750, 125.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.950 - 3.330
R-factor	0.1964
Rwork	0.192
R-free	0.27430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nwy
RMSD bond length	0.013
RMSD bond angle	1.275
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.950	3.270
High resolution limit [Å]	3.080	3.080
Rmerge	0.292	1.263
Number of reflections	57888	8576
<I/σ(I)>	8.2	1.69
Completeness [%]	98.7
Redundancy	12.3
CC(1/2)	0.995	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.7	293	1 M LiCl, 20 % (w/v) PEG 8K and 0.1 M Tris pH 8.7