4LSM

Crystal structure of a glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi

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	2012-07-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	80.490, 80.490, 203.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.610 - 1.650
R-factor	0.1337
Rwork	0.132
R-free	0.17020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gad
RMSD bond length	0.009
RMSD bond angle	1.396
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.092	0.053	0.434
Number of reflections	92582	1123	6739
<I/σ(I)>	16.1	25.29	5.06
Completeness [%]	99.9	93.6	100
Redundancy	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	TrcrA.00814.b.B1.PS01922 at 29.1 mg/mL against JCSG+ screen condition G8 (0.15 M DL-malic acid, 25% PEG3350), cryoprotectant: 15% ethylene glycol, crystal tracking ID 246268g8, unique puck ID roi5-9, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K