8U47

Crystal structure of Bacteroides thetaiotaomicron VPI-5482 Endoglycosidase BT1285

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	67.800, 68.727, 51.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.970 - 1.330
R-factor	0.1809
Rwork	0.180
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.896
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.330
High resolution limit [Å]	1.280	1.280
Rmeas	0.116	0.499
Rpim	0.034	0.158
Number of reflections	58683	4203
<I/σ(I)>	11.1
Completeness [%]	94.9	68.5
Redundancy	10.2
CC(1/2)	1.000	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	12.5 % w/v PEG 1000, 12.5 % w/v PEG 3350, 12.5 % v/v MPD 0.03 M of each divalent cation 0.1 M MOPS/HEPES-Na pH 7.5.