6UFQ

Crystal structure of D678N GoxA bound to 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	109.141, 91.573, 178.409
Unit cell angles	90.00, 91.53, 90.00

Refinement procedure

Resolution	46.866 - 2.510
R-factor	0.1785
Rwork	0.176
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6byw
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.100	47.100	2.550
High resolution limit [Å]	2.510	13.750	2.510
Rmerge	0.130	0.034	0.618
Rmeas	0.152	0.040	0.723
Rpim	0.078	0.020	0.372
Total number of observations	443732	2447	21932
Number of reflections	119962	701	5929
<I/σ(I)>	8.9	23.4	2.2
Completeness [%]	99.6	88.4	99.9
Redundancy	3.7	3.5	3.7
CC(1/2)	0.990	0.998	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.5	293	Protein at 10 mg/mL was mixed in a 1:1 ratio with crystallization cocktail containing 21% w/v PEG 3350, 0.1 M sodium citrate pH 5.5