3K6U

M. acetivorans Molybdate-Binding Protein (ModA) in Unliganded Open Form

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	2004-11-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.954
Spacegroup name	P 61
Unit cell lengths	82.179, 82.179, 104.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.260 - 1.950
R-factor	0.178
Rwork	0.177
R-free	0.20800
Structure solution method	MIRAS
RMSD bond length	0.015
RMSD bond angle	1.392
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.260	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.092	0.500
Number of reflections	29447
<I/σ(I)>	18.6	10.43
Completeness [%]	99.9	100
Redundancy	10.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	1.4M tri-Ammonium Citrate, p6.4, vapor diffusion, sitting drop, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	1.4M tri-Ammonium Citrate, p6.4, vapor diffusion, sitting drop, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	1.4M tri-Ammonium Citrate, p6.4, vapor diffusion, sitting drop, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	1.4M tri-Ammonium Citrate, p6.4, vapor diffusion, sitting drop, temperature 293K