4DE5

Pantothenate synthetase in complex with fragment 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	48.480, 71.040, 82.020
Unit cell angles	90.00, 99.56, 90.00

Refinement procedure

Resolution	80.850 - 2.250
R-factor	0.15193
Rwork	0.148
R-free	0.22304
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.769
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	80.850
High resolution limit [Å]	2.250
Rmerge	0.048
Number of reflections	26165
<I/σ(I)>	22.8
Completeness [%]	100.0
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294	12-14% PEG 3000, 150 mM Li2SO4, 100 mM imidazole, 2% Ethanol, 10% Glycerol,20 mM MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K