4OO7

THE 1.55A CRYSTAL STRUCTURE of NAF1 (MINER1): THE REDOX-ACTIVE 2FE-2S PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	41.009, 48.652, 73.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.380 - 1.650
R-factor	0.13553
Rwork	0.135
R-free	0.15043
Structure solution method	MR
RMSD bond length	0.010
RMSD bond angle	1.836
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.550
Number of reflections	21634
Completeness [%]	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	35% PEG 3350, 0.1M Tris-HCL pH 8.0 and 50mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K