5MY5

Tungstate binding protein - TupA - from Desulfovibrio alaskensis G20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	52.323, 42.530, 54.753
Unit cell angles	90.00, 95.45, 90.00

Refinement procedure

Resolution	42.530 - 1.400
R-factor	0.17812
Rwork	0.176
R-free	0.21748
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lr1 3muq
RMSD bond length	0.023
RMSD bond angle	2.047
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.530	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.034	0.297
Rmeas	0.048	0.414
Rpim	0.033	0.288
Number of reflections	46519
<I/σ(I)>	12.8	2.4
Completeness [%]	98.5
Redundancy	2.9
CC(1/2)	0.998	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M magnesium chloride, 0.1 M HEPES (pH 7.5) and 30% (w/v) polyethylene glycol 3350