2R4J

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Wavelength(s)	0.97928, 0.97947, 0.97181
Spacegroup name	I 2 2 2
Unit cell lengths	113.916, 114.142, 193.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.960
R-factor	0.2136
Rwork	0.211
R-free	0.26292
Structure solution method	MAD
RMSD bond length	0.024
RMSD bond angle	2.354
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.08)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.960	4.200	1.960
Rmerge	0.113	0.082	0.614
Number of reflections	87054
<I/σ(I)>	13.2
Completeness [%]	96.5	97.8	80.6
Redundancy	6.3	6.9	3.8

Crystallization Conditions

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