2PVD

Crystal srtucture of the reduced ferredoxin:thioredoxin reductase

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	2001-01-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	45.177, 45.177, 172.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.950
Rwork	0.268
R-free	0.28400
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.065	0.048	0.769
Number of reflections	14792
<I/σ(I)>	16
Completeness [%]	90.9	53.8	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.3	298	pH 5.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K