6DHT

Bacteroides ovatus GH9 Bacova_02649

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	2017-08-12
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	130.646, 50.406, 95.980
Unit cell angles	90.00, 109.00, 90.00

Refinement procedure

Resolution	44.736 - 1.420
R-factor	0.1682
Rwork	0.168
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.282
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.740	1.471
High resolution limit [Å]	1.420	1.420
Rmerge	0.081	0.590
Rmeas	0.088
Number of reflections	109840	9432
<I/σ(I)>	20.8	2.05
Completeness [%]	98.3	84.59
Redundancy	6.7	5.2
CC(1/2)	0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Morpheus screen condition A2 (0.06 M magnesium chloride, 0.06 M calcium chloride, 0.1 M imidazole-MES, pH 6.5, 30% mix of ethylene glycol and PEG8000)