3CSS

Crystal structure of 6-phosphogluconolactonase from Leishmania guyanensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	69.999, 89.381, 100.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.700
R-factor	0.17
Rwork	0.169
R-free	0.18500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3ch7
RMSD bond length	0.012
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.040	0.021	0.409
Number of reflections	33580
<I/σ(I)>	14.9
Completeness [%]	95.8	99.4	72.9
Redundancy	7	7.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	40% PEG 400, 0.1 M Sodium acetate, 0.1 M NH4H2PO4 pH 5.0, pH 7.5, VAPOR DIFFUSION, temperature 298K