3EO6

Crystal structure of protein of unknown function (DUF1255) (AFE_2634) from ACIDITHIOBACILLUS FERROOXIDANS NCIB8455 at 0.97 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97837
Spacegroup name	P 1 21 1
Unit cell lengths	30.785, 82.028, 40.847
Unit cell angles	90.00, 109.95, 90.00

Refinement procedure

Resolution	28.194 - 0.970
R-factor	0.124
Rwork	0.123
R-free	0.14300
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.920
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHARP
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.194	28.940	1.000
High resolution limit [Å]	0.970	4.340	0.970
Rmerge	0.064	0.050	0.703
Total number of observations		7749	28853
Number of reflections	111566
<I/σ(I)>	5.911	12.7	1.1
Completeness [%]	99.4	97.1	98
Redundancy	4.1	6.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2000M MgCl2, 30.0000% PEG-4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K