4P8R

Structure of a glycosomal glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma brucei

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	2012-07-20
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 65 2 2
Unit cell lengths	86.700, 86.700, 701.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.893 - 2.200
R-factor	0.1524
Rwork	0.150
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.072
Data reduction software	XDS
Data scaling software	XSCALE (2.5.5)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1659))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.091	0.034	0.532
Rmeas	0.095	0.035	0.626
Total number of observations	1096712
Number of reflections	81199	1007	5494
<I/σ(I)>	21.81	55.38	2.1
Completeness [%]	99.1	82.7	93.3
Redundancy	13.5		3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Microlytics MGSC1 screen, e3: 30% PEG 550 MME, 20mM magnesium chloride, 100mM HEPEES/NaOH pH 7.5, TrbrA.00885.a.B1.PS01548 at 19.4 mg/ml, tray 236008e3, puck gzn0-7; cryo: direct