3G7P

Crystal structure of a nifx-associated protein of unknown function (afe_1514) from acidithiobacillus ferrooxidans atcc at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97925
Spacegroup name	P 61 2 2
Unit cell lengths	49.293, 49.293, 254.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.228 - 2.000
R-factor	0.206
Rwork	0.204
R-free	0.24900
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.548
Data reduction software	XDS
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.228	28.228	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.131	0.044	0.668
Total number of observations		645	4343
Number of reflections	13459
<I/σ(I)>	4.831	10.8	1
Completeness [%]	100.0	97	100
Redundancy	4.4	3	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	NANODROP, 0.20M Li2SO4, 30.0% PEG 4000, 0.1M Tris-HCl pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K