5WIC

TraE protein in complex with 2-Furoic Acid (FOA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	111.318, 123.766, 108.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.770 - 2.550
R-factor	0.228
Rwork	0.225
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i97
RMSD bond length	0.003
RMSD bond angle	0.684
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	38.771
High resolution limit [Å]	2.550
Number of reflections	24153
<I/σ(I)>	5.78
Completeness [%]	97.8
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	16% (w/v) PEG 10,000, 50 mM Bis-Tris (pH 5.5), 100 mM ammonium acetate