3CH7

Crystal structure of 6-phosphogluconolactonase from Leishmania braziliensis

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	2007-05-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91840
Spacegroup name	C 2 2 21
Unit cell lengths	69.967, 88.490, 100.523
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.290
R-factor	0.192
Rwork	0.190
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j0e
RMSD bond length	0.020
RMSD bond angle	1.799
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.370
High resolution limit [Å]	2.290	4.930	2.290
Rmerge	0.069	0.035	0.338
Number of reflections	13966
<I/σ(I)>	13.9
Completeness [%]	96.5	99.8	82
Redundancy	6.9	6.9	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	40% PEG 1000, 0.1 M MOPS, 0.1 M NH4H2PO4, pH 7.5, VAPOR DIFFUSION, temperature 298K