4LR3

Crystal structure of E. coli YfbU at 2.5 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.2146
Spacegroup name	P 2 3
Unit cell lengths	230.078, 230.078, 230.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.800 - 2.500
R-factor	0.20986
Rwork	0.208
R-free	0.24703
Structure solution method	SAD/SIR
RMSD bond length	0.007
RMSD bond angle	1.298
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.000
High resolution limit [Å]	2.500	2.500
Number of reflections	138551
Completeness [%]	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	1.6 M ammonium phosphate monobasic, 100 mM MES, pH 5.5 or 100 mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	1.6 M ammonium phosphate monobasic, 100 mM MES, pH 5.5 or 100 mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	1.6 M ammonium phosphate monobasic, 100 mM MES, pH 5.5 or 100 mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K