3PYD

crystal structure of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-07-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.584, 72.375, 107.393
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.570 - 2.101
R-factor	0.197
Rwork	0.195
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uek
RMSD bond length	0.008
RMSD bond angle	1.177
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Number of reflections	24569
Completeness [%]	99.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.1M Bis-Tris propane (pH 7.0), 3.2M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K