3U2H

Crystal structure of the C-terminal DUF1608 domain of the Methanosarcina acetivorans S-layer (MA0829) protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	74.675, 49.582, 84.952
Unit cell angles	90.00, 106.15, 90.00

Refinement procedure

Resolution	81.600 - 2.360
R-factor	0.2108
Rwork	0.209
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u2g
RMSD bond length	0.009
RMSD bond angle	1.174
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.000	90.000	2.440
High resolution limit [Å]	2.360	5.080	2.360
Rmerge		0.064	0.392
Number of reflections	12345
<I/σ(I)>	12.3	21.6	6.8
Completeness [%]	99.7	98.8	100
Redundancy	6.8	6.5	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.2M sodium sulfate, 20% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K