8PN3

Crystal structure of the HC7-Glu200Ala mutant complexed to a tetraglycopeptide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	84.703, 91.940, 99.741
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 1.440
R-factor	0.17107
Rwork	0.170
R-free	0.20114
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.669
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.520
High resolution limit [Å]	1.440	1.440
Rmerge	0.085	0.931
Number of reflections	140966	20377
<I/σ(I)>	10.1	1.8
Completeness [%]	100.0	100
Redundancy	5.5	5.4
CC(1/2)	0.998	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	PEG 8000 MES Zinc acetate