2QCU

Crystal structure of Glycerol-3-phosphate Dehydrogenase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9803
Spacegroup name	I 2 2 2
Unit cell lengths	113.791, 114.097, 192.801
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.750
R-factor	0.20564
Rwork	0.204
R-free	0.23998
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.740
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
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	0.061	0.033	0.712
Number of reflections	136571
<I/σ(I)>	11.8
Completeness [%]	99.4	98.9	98.1
Redundancy	9	9.4	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M di-Ammonium hydrogen phosphate, 0.1 M Tris-HCl pH 8.5, 12 % w/v PEG MME 550, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M di-Ammonium hydrogen phosphate, 0.1 M Tris-HCl pH 8.5, 12 % w/v PEG MME 550, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M di-Ammonium hydrogen phosphate, 0.1 M Tris-HCl pH 8.5, 12 % w/v PEG MME 550, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K