1O73

Tryparedoxin from Trypanosoma brucei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 1 21 1
Unit cell lengths	30.600, 31.460, 56.930
Unit cell angles	90.00, 93.43, 90.00

Refinement procedure

Resolution	56.800 - 2.300 *
Rwork	0.177
R-free	0.24700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qk8
RMSD bond length	0.007 *
RMSD bond angle	1.450 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.800	2.360
High resolution limit [Å]	2.300 *	2.280
Rmerge	0.073	0.217
Total number of observations	37965 *
Number of reflections	4699 *
<I/σ(I)>	19.6	6.5
Completeness [%]	98.7	94.7
Redundancy	8.1	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		50 MM HEPES PH 7.5, 30% PEG4000, 100 MM SODIUM ACETATE PH 4.6, 200 MM AMMONIUM ACETATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	50 (mM)	pH7.5
3	1	reservoir	PEG4000	30 (%)
4	1	reservoir	sodium acetate	100 (mM)	pH4.6
5	1	reservoir	ammonium acetate	200 (mM)