3DYR

Crystal structure of E. coli thioredoxin mutant I76T in its oxidized form

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RU300
Detector technology	IMAGE PLATE
Collection date	2008-04-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	58.790, 39.390, 90.550
Unit cell angles	90.00, 96.63, 90.00

Refinement procedure

Resolution	25.649 - 2.000
R-factor	0.2544
Rwork	0.251
R-free	0.28960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.059	0.048	0.249
Number of reflections	13739
Completeness [%]	97.0	98.2	94.7
Redundancy	3.2	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1