4HL6

YfdE from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	111.422, 79.527, 276.189
Unit cell angles	90.00, 99.95, 90.00

Refinement procedure

Resolution	42.479 - 2.120
R-factor	0.191
Rwork	0.189
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ed9
RMSD bond length	0.003
RMSD bond angle	0.770
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX (1.7.3_928)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.160
High resolution limit [Å]	2.120	5.750	2.120
Rmerge	0.080	0.035	0.506
Number of reflections	107843
<I/σ(I)>	16.2	41.2	2.2
Completeness [%]	79.8	99.6	73.7
Redundancy	3.2	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	20% (w/v) PEG-8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K