6MOU

Bacteroides intestinalis feruloyl esterase, Bacint_01033

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-07
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	95.206, 95.206, 202.609
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.369 - 2.240
R-factor	0.192
Rwork	0.190
R-free	0.23600
Structure solution method	SAD
Data reduction software	d*TREK
Data scaling software	xia2
Phasing software	AutoSol
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.370	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.180	0.780
Number of reflections	98838
<I/σ(I)>	7.5
Completeness [%]	100.0
Redundancy	5.8
CC(1/2)	0.987	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M Bis-Tris pH 6.5, 20% PEG 1,500. Hampton PegRx screen well B8