8U01

Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain Containing Protein from Phocaeicola plebeius

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-09
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9792
Spacegroup name	P 41 3 2
Unit cell lengths	230.110, 230.110, 230.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.380 - 3.000
R-factor	0.1551
Rwork	0.153
R-free	0.18610
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.565
Data reduction software	xia2
Data scaling software	xia2
Phasing software	HKL-3000
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.800	3.050
High resolution limit [Å]	3.000	3.000
Rmerge	0.137	0.524
Rmeas	0.139	0.534
Rpim	0.027	0.105
Number of reflections	42107	2039
<I/σ(I)>	28.9	7.5
Completeness [%]	100.0	99.1
Redundancy	26	7.5
CC(1/2)	0.999	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2 M sodium chloride, 0.1 M HEPES, pH 7.5, 30% v/v PEG400