1KEB

Crystal Structure of Double Mutant M37L,P40S E.coli Thioredoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-10-29
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	29.320, 37.500, 50.740
Unit cell angles	69.25, 79.71, 85.39

Refinement procedure

Resolution	30.000 * - 1.800
Rwork	0.182
R-free	0.22200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2trx
RMSD bond length	0.005
RMSD bond angle	1.240 *
Data reduction software	DENZO
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.062
Number of reflections	15560 *
<I/σ(I)>	14.41	1.73
Completeness [%]	84.5 *	84.9
Redundancy	2.37 *	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.8	300	Chakrabarti, A., (1999) J. Appl. Crystallogr., 30, 2455. *