8PN5

Crystal structure of the HC7-Glu200Ala mutant complexed to a triglycopeptide

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	163.331, 260.637, 82.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 1.720
Rwork	0.208
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.810
High resolution limit [Å]	1.720	1.720
Rmerge	0.088	1.264
Number of reflections	371886	53889
<I/σ(I)>	9.7
Completeness [%]	99.9
Redundancy	5.6
CC(1/2)	0.998	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	MES PEG 8,000 zinc acetate