5VMT

Crystal structure of a glyceraldehyde-3-phosphate dehydrogenase from Neisseria gonorrhoeae bound to NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	142.450, 132.100, 156.000
Unit cell angles	90.00, 94.56, 90.00

Refinement procedure

Resolution	45.485 - 2.500
R-factor	0.1661
Rwork	0.165
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qx6
RMSD bond length	0.007
RMSD bond angle	0.936
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((dev_2744))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.485	45.485	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.066	0.029	0.491
Rmeas	0.077	0.034	0.570
Number of reflections	99272	1093	7353
<I/σ(I)>	15.53	38.73	2.84
Completeness [%]	99.8	94.1	100
Redundancy	3.816	3.383	3.862
CC(1/2)	0.998	0.998	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	NegoA.00617.a.B1.PS38018 at 21.2 mg/mL with 3 mM NAD against JCSG+ screen condition A9 0.2 M ammonium chloride, 25% PEG 3350 supplemented with 20% ethylene glycol and 3 mM NAD as cryoprotectant, crystal tracking ID 284230a9, unique puck ID giy4-10