6BYT

Complex structure of LOR107 mutant (R320) with tetrasaccharide substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-29
Detector	RAYONIX MX300HE
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	84.220, 120.660, 127.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.045 - 2.200
R-factor	0.2025
Rwork	0.200
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.023
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.050	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	66350
<I/σ(I)>	12.93
Completeness [%]	99.9
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	25.5% PEG8K, 0.17M Ammonium Sulfate, 0.1M Mes pH 6.5, 15% Glycerol