6GXG

Tryparedoxin from Trypanosoma brucei in complex with CFT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.07227
Spacegroup name	P 1 21 1
Unit cell lengths	39.680, 95.736, 48.043
Unit cell angles	90.00, 96.61, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.15133
Rwork	0.150
R-free	0.17701
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o73
RMSD bond length	0.010
RMSD bond angle	1.443
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.134	1.441
Rmeas	0.146	1.554
Rpim	0.056	0.577
Number of reflections	45750	2210
<I/σ(I)>	9.6
Completeness [%]	97.4	95.3
Redundancy	6.8	7.1
CC(1/2)	0.996	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1.045 M Na-citrate; 100 mM Na-acetate buffer