9PLA

The structure of O-glycopeptidase BcM60C (E665A mutant) from Bacteroides caccae in complex with a core 2 glycan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	118.408, 118.408, 88.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.570 - 2.150
R-factor	0.2168
Rwork	0.215
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.453
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.190
High resolution limit [Å]	2.150	2.150
Rmeas	0.087	0.422
Rpim	0.039	0.307
Number of reflections	34134	1451
<I/σ(I)>	16.1	2.1
Completeness [%]	98.5
Redundancy	4.1
CC(1/2)		0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M (NH4)2 SO4, 0.1M Na citrate pH5.6, 21% PEG4000