4MYB

Crystal Structure of Francisella tularensis 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97870
Spacegroup name	F 41 3 2
Unit cell lengths	200.409, 200.409, 200.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.562 - 2.400
R-factor	0.2551
Rwork	0.255
R-free	0.26560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.267
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.562	2.580
High resolution limit [Å]	2.400	2.400
Rmerge	0.076
Number of reflections	13737
<I/σ(I)>	12.35	8.06
Completeness [%]	100.0	99
Redundancy	1	43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	295	0.1 M citric acid, pH 4.5, 7% PEG6000, 0.5 M lithium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 295K