2R46

Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with 2-phosphopyruvic acid.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Collection date	2007-04-20
Wavelength(s)	0.9803
Spacegroup name	I 2 2 2
Unit cell lengths	113.823, 113.937, 192.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.193
Rwork	0.191
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.512
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]	28.890	28.890	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.099	0.058	0.501
Number of reflections	73532
<I/σ(I)>	9.2
Completeness [%]	100.0	99.8	100
Redundancy	9.9

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 Taps, 12% w/v PEG 6000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K