3HA9

The 1.7A Crystal Structure of a Thioredoxin-like Protein from Aeropyrum pernix

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97926
Spacegroup name	P 43 21 2
Unit cell lengths	74.742, 74.742, 59.451
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.620 - 1.700
R-factor	0.196
Rwork	0.194
R-free	0.23200
RMSD bond length	0.011
RMSD bond angle	1.198
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (refmac_5.5.0054)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.088	0.069	0.752
Number of reflections	20769
<I/σ(I)>	13
Completeness [%]	99.4	95.1	100
Redundancy	9.3	8.3	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	277	3.5M Sodium formate, 0.1M Sodium acetate, pH 4.6, vapor diffusion, temperature 277K