6GXY

Tryparedoxin from Trypanosoma brucei in complex with CFT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.980004
Spacegroup name	P 1 21 1
Unit cell lengths	39.630, 96.009, 48.276
Unit cell angles	90.00, 96.57, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.16771
Rwork	0.165
R-free	0.21217
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o73
RMSD bond length	0.009
RMSD bond angle	1.375
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	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.141	0.624
Rmeas	0.163	0.722
Rpim	0.079	0.354
Number of reflections	32420	1772
<I/σ(I)>	6.9	1.8
Completeness [%]	97.2	90.2
Redundancy	4	3.8
CC(1/2)	0.990	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1.045 M Na-citrate, 0.1 M Na-acetate