6E90

Ternary complex of human glycerol 3-phosphate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	58.940, 79.560, 85.060
Unit cell angles	63.87, 86.60, 83.61

Refinement procedure

Resolution	71.110 - 2.050
R-factor	0.1793
Rwork	0.177
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e8z 1x0x
RMSD bond length	0.012
RMSD bond angle	1.158
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.110	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.167	0.753
Rmeas	0.199	0.916
Number of reflections	80815	7975
<I/σ(I)>	5.2
Completeness [%]	93.4	92.2
Redundancy	3.2	3
CC(1/2)	0.974	0.379

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	287	0.1 M calcium chloride, 5% MPD, 20% PEG 8000, 50 mM bis-Tris propane pH 7.0, 2 mM NAD, 1 mM dihydroxyacetone phosphate; 10 mg/mL