6OK4

Crystal Structure of Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) from Chlamydia trachomatis with bound 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	2019-02-28
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	86.470, 135.290, 137.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.688 - 2.400
R-factor	0.1743
Rwork	0.172
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pym
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.688	49.688	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.124	0.043	0.614
Rmeas	0.135	0.048	0.671
Total number of observations	398110
Number of reflections	63802	792	4663
<I/σ(I)>	11.62	28.31	3.06
Completeness [%]	99.9	97.3	100
Redundancy	6.24	5.251	6.309
CC(1/2)	0.996	0.997	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	ChtrB.00839.a.B1.PW38497 (in 25 mM HEPES pH 7.0, 500 mM NaCl, 5% Glycerol , 2 mM DTT, and 0.025% Azide) at 17.29 mg/ml was incubated with 4 mM NAD and a small molecule (that is not in the electron density), then was mixed 1:1 with MCSG1(b9): 20% (w/v) PEG-3350, 0.2 M MgCl2, cryo: 20% ethylene glycol. Tray: 307039b9, puck: unc3-9.