4XHM

Archaeoglobus fulgidus thioredoxin 3 M60H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-04-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.541
Spacegroup name	P 21 21 21
Unit cell lengths	49.564, 56.905, 100.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.887 - 1.950
R-factor	0.1936
Rwork	0.191
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	207K
RMSD bond length	0.003
RMSD bond angle	0.749
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge		0.025	0.232
Total number of observations	74266
Number of reflections	18906
<I/σ(I)>	25.422		5.25
Completeness [%]	88.4	99.2	99.7
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	1.0 ul of 20 mg/ml protein solution (in 10 mM HEPES pH 7.0 and 20 mM NaCl) and 1.0 ul of precipitant solution containing 60% Tacsimate, pH 7.0 using sitting drop method. Rod-shaped crystals of approximately 100-150 um grew in 3-4 days. Crystals were cryo-protected in precipitant solution containing 10% glycerol by soaking for 2-5 minutes before flash-freezing in liquid nitrogen