3LUU

Crystal structure of Protein with unknown function which belongs to Pfam DUF971 family (AFE_2189) from Acidithiobacillus ferrooxidans ATCC 23270 at 1.93 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	2010-01-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97876
Spacegroup name	P 41 21 2
Unit cell lengths	82.943, 82.943, 32.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.471 - 1.930
R-factor	0.197
Rwork	0.196
R-free	0.22100
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.701
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.471	41.471	2.000
High resolution limit [Å]	1.930	4.150	1.930
Rmerge	0.146	1.211	1.211
Number of reflections	8966	1007	873
<I/σ(I)>	11.86	36.1	1.97
Completeness [%]	98.7	98.6	99.7
Redundancy	7.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	0.3000M magnesium chloride, 22.0000% polyethylene glycol 8000, 0.1M TRIS pH 8.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K