6XLT

The 1.48 Angstrom crystal structure of evolved galactose oxidase variant A3.E7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-22
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97919
Spacegroup name	C 1 2 1
Unit cell lengths	97.282, 89.120, 86.162
Unit cell angles	90.00, 117.82, 90.00

Refinement procedure

Resolution	28.461 - 1.478
R-factor	0.1481
Rwork	0.148
R-free	0.16920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gog
RMSD bond length	0.006
RMSD bond angle	1.067
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.510
High resolution limit [Å]	1.478	3.650	1.480
Rmerge	0.060	0.029	0.959
Rmeas	0.068	0.032	1.096
Rpim	0.030	0.015	0.517
Number of reflections	108128	7284	7116
<I/σ(I)>	8.3
Completeness [%]	99.9	99.2	99
Redundancy	5	4.9	4.2
CC(1/2)		0.999	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	10% PEG 6000, 0.1 M CaCl2, 5% glycerol, 10 mM N-Acetylglucosamine and 50 mM acetic acid