6VMW

Crystal structure of the F316A 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	2019-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	109.607, 91.883, 178.786
Unit cell angles	90.00, 91.37, 90.00

Refinement procedure

Resolution	45.941 - 1.990
R-factor	0.1741
Rwork	0.172
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3byw
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]	47.210	2.020
High resolution limit [Å]	1.990	1.990
Rmerge	0.100	0.560
Rmeas	0.117	0.669
Rpim	0.061	0.359
Number of reflections	240912	11746
<I/σ(I)>	9	2.2
Completeness [%]	99.1	98.5
Redundancy	3.5	3.1
CC(1/2)	0.994	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.5	293	Protein at 10 mg/mL was combined in a 1:1 ratio with precipitant containing 19% PEG 3350, 0.1 M citrate pH 5.5