1SQ5

Crystal Structure of E. coli Pantothenate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	181.203, 181.655, 47.418
Unit cell angles	90.00, 104.79, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.187
Rwork	0.187
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	70252
<I/σ(I)>	15.2	3.3
Completeness [%]	99.2	98.4
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				VAPOR DIFFUSION, HANGING DROP