3HZ4

Crystal Structure of Thioredoxin from Methanosarcina mazei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9797
Spacegroup name	P 32 2 1
Unit cell lengths	82.068, 82.068, 93.874
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.19335
Rwork	0.191
R-free	0.24659
Structure solution method	SAD
RMSD bond length	0.025
RMSD bond angle	2.086
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.130	0.390
Number of reflections	18041
<I/σ(I)>	9.9	9.6
Completeness [%]	94.8	100
Redundancy	21.5	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	20% Peg 3350, 0.1M Bis Tris pH 5.5, 0.2M LiSo4, 0.1M EDTA, 20% Ethylene Glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K