5DQY

A fully oxidized human thioredoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	53.204, 61.231, 64.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.400
R-factor	0.16012
Rwork	0.158
R-free	0.20942
RMSD bond length	0.027
RMSD bond angle	2.248
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.400
Number of reflections	20475
<I/σ(I)>	17.88
Completeness [%]	96.4
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294.15	Ammonium citrate, Bis-Tris propane