3PYG

Mycobacterium tuberculosis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	51.199, 73.122, 106.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.182 - 1.990
R-factor	0.22193
Rwork	0.220
R-free	0.26284
RMSD bond length	0.025
RMSD bond angle	2.213
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.990
Number of reflections	26350
Completeness [%]	95.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M Bis-Tris propane (pH 7.5), 1.5M Li2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 291K