2I1U

Mycobacterium tuberculosis thioredoxin C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2004-09-04
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	26.478, 29.225, 30.954
Unit cell angles	88.37, 88.15, 66.67

Refinement procedure

Resolution	18.900 - 1.300
R-factor	0.21391
Rwork	0.212
R-free	0.24032
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2trx
RMSD bond length	0.009
RMSD bond angle	1.367
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.370
High resolution limit [Å]	1.300	1.300
Number of reflections	19858
Completeness [%]	94.7	92.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10% iso-propanol, 0.1M Na HEPES, 20% PEG 4K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10% iso-propanol, 0.1M Na HEPES, 20% PEG 4K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K