6VMF

Crystal structure of the Y766F mutant of GoxA soaked with glycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	107.857, 92.985, 187.048
Unit cell angles	90.00, 95.06, 90.00

Refinement procedure

Resolution	48.421 - 2.240
R-factor	0.2024
Rwork	0.202
R-free	0.25020
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6byw
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.421	2.280
High resolution limit [Å]	2.240	2.240
Rmerge	0.121	0.641
Rmeas	0.143	0.750
Rpim	0.074	0.384
Number of reflections	173760	8718
<I/σ(I)>	5.9	1.9
Completeness [%]	98.0	99.7
Redundancy	3.7	3.7
CC(1/2)	0.992	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293	Protein at 10 mg/mL was combined in a 1:1 ratio with precipitant solution composed of 23% PEG 3350, 0.1 M HEPES pH 7.5, 0.1 M ammonium sulfate.