3FSE

Crystal structure of a two-domain protein containing dj-1/thij/pfpi-like and ferritin-like domains (ava_4496) from anabaena variabilis atcc 29413 at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-11
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	137.360, 39.690, 123.060
Unit cell angles	90.00, 93.04, 90.00

Refinement procedure

Resolution	29.975 - 1.900
R-factor	0.178
Rwork	0.176
R-free	0.21900
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.605
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.975	29.975	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.052	0.030	0.507
Number of reflections	52666	10032	10293
<I/σ(I)>	8.92	20.5	1.5
Completeness [%]	97.4	97.1	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.67	277	20.0% polyethylene glycol 6000, 0.15M magnesium acetate, 0.1M sodium cacodylate pH 6.67, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K