2R4E

Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with DHAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Wavelength(s)	0.9803
Spacegroup name	I 2 2 2
Unit cell lengths	113.848, 113.822, 193.133
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.20074
Rwork	0.198
R-free	0.25607
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.163
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	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.078	0.035	0.586
Number of reflections	78152
<I/σ(I)>	10.2
Completeness [%]	99.5	99.5	95.9
Redundancy	6	6.1	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1M di-Ammonium hydrogen phosphate, 0.1M Taps, 12% w/v PEG 6000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K