2PUO

Crystal srtucture of the NEM modified ferredoxin:thioredoxin reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0781
Spacegroup name	P 21 21 21
Unit cell lengths	44.650, 53.595, 79.393
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 - 1.700
Rwork	0.234
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.060	0.042	0.500
Number of reflections	20362
<I/σ(I)>	18.3
Completeness [%]	93.9	98.3	60.6
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	298	pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K