7BLJ

Structure of CBM BT3015C from Bacteroides thetaiotaomicron in complex with O-GalNAc core 2-Thr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	110
Detector technology	CMOS
Collection date	2019-04-18
Detector	BRUKER PHOTON 100
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	35.541, 64.965, 70.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.370 - 1.760
R-factor	0.1669
Rwork	0.164
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7blg
RMSD bond length	0.006
RMSD bond angle	0.889
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.370	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.077	0.500
Number of reflections	16860	2538
<I/σ(I)>	24
Completeness [%]	99.9
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein at 8mg/ml 0.1 M sodium citrate pH 5.0 and 20 % w/v PEG 6000