5WIO

TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid

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	2017-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977
Spacegroup name	C 2 2 21
Unit cell lengths	112.911, 125.535, 110.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.480 - 2.520
R-factor	0.3
Rwork	0.300
R-free	0.35600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i97
RMSD bond length	0.002
RMSD bond angle	0.501
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]	39.478
High resolution limit [Å]	2.520
Number of reflections	26767
<I/σ(I)>	5.36
Completeness [%]	99.7
Redundancy	5.4

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