4GWK

Crystal structure of 6-phosphogluconate dehydrogenase complexed with 3-phosphoglyceric acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	180
Detector technology	CCD
Collection date	2011-12-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 43 21 2
Unit cell lengths	87.246, 87.246, 130.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.038 - 1.534
R-factor	0.1706
Rwork	0.170
R-free	0.17450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fwn
RMSD bond length	0.008
RMSD bond angle	1.337
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.517	2.080	1.580
High resolution limit [Å]	1.534	1.930	1.534
Number of reflections	75680
Completeness [%]	99.1	100	92.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	14% PEG3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K