3K6W

Apo and ligand bound structures of ModA from the archaeon Methanosarcina acetivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	94.512, 66.120, 61.460
Unit cell angles	90.00, 95.99, 90.00

Refinement procedure

Resolution	54.070 - 2.450
R-factor	0.208
Rwork	0.207
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.727
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.5)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.070	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.082	0.479
Number of reflections	13167
<I/σ(I)>	13.9	2
Completeness [%]	93.7	91.4
Redundancy	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	2.1M ammonium sulfate, 3% (v/v) isopropanol with final concentration of sodium molybdate at 125 mM in the drop, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	2.1M ammonium sulfate, 3% (v/v) isopropanol with final concentration of sodium molybdate at 125 mM in the drop, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	2.1M ammonium sulfate, 3% (v/v) isopropanol with final concentration of sodium molybdate at 125 mM in the drop, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K