3NA2

Crystal Structure of Protein of Unknown Function from Mine Drainage Metagenome Leptospirillum rubarum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-04
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97910
Spacegroup name	P 21 21 2
Unit cell lengths	76.367, 115.047, 73.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.240 - 2.293
R-factor	0.19
Rwork	0.186
R-free	0.24800
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.975
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	29653
<I/σ(I)>	11.9	3.7
Completeness [%]	99.9	100
Redundancy	7.8	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M Sodium Cacodylate pH 6.5, 0.2 M Magnesium acetate, 20 % PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K