3D22

Crystal structure of a poplar thioredoxin h mutant, PtTrxh4C61S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.24
Spacegroup name	P 21 21 21
Unit cell lengths	31.776, 44.103, 85.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.600
R-factor	0.191
Rwork	0.191
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wild-type PtTrxh4
RMSD bond length	0.010
RMSD bond angle	1.239
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	16333
Completeness [%]	98.5	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	8.2	293	1.0 M sodium / potassium phosphate , pH 8.2, microbatch under oil, temperature 293K