1R26

Crystal structure of thioredoxin from Trypanosoma brucei brucei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-31
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9150
Spacegroup name	P 21 21 21
Unit cell lengths	37.878, 51.725, 57.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.400
R-factor	0.1691
Rwork	0.168
R-free	0.19800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ert polyala
RMSD bond length	0.012
RMSD bond angle	1.300 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.078	0.515
Total number of observations	232960 *
Number of reflections	22807
<I/σ(I)>	5.8	1
Completeness [%]	99.6	99.6 *
Redundancy	10. *	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2 *	293	2M sodium formate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6.8 (mg/ml)
2	1	drop	imidazole	250 (mM)
3	1	drop		300 (mM)
4	1	drop	sodium phosphate	50 (mM)	pH7.2
5	1	reservoir	sodium formate	2 (M)
6	1	reservoir	sodium acetate	0.1 (M)	pH4.6