1U80

Phosphopantothenoylcysteine synthetase from E. coli, CMP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Detector technology	CCD
Collection date	2004-01-21
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	C 2 2 21
Unit cell lengths	45.795, 144.289, 245.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.850
R-factor	0.231
Rwork	0.212
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u7u
RMSD bond length	0.012
RMSD bond angle	1.780
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.920
High resolution limit [Å]	2.850	2.850
Rmerge	0.042	0.202
Number of reflections	19252
Completeness [%]	98.7	92.9
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	PEG 3000, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K