6UBZ

Crystal structure of D678A GoxA bound to glycine at pH 5.5

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	2018-06-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	110.325, 93.403, 187.987
Unit cell angles	90.00, 95.20, 90.00

Refinement procedure

Resolution	47.352 - 1.830
R-factor	0.1631
Rwork	0.162
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6byw
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.350	48.350	1.860
High resolution limit [Å]	1.830	10.020	1.830
Rmerge	0.057	0.023	0.524
Rmeas	0.067	0.027	0.620
Rpim	0.034	0.013	0.326
Total number of observations	1203064	7698	56220
Number of reflections	332023	2115	16341
<I/σ(I)>	13.6	38.9	2.3
Completeness [%]	99.3	97.7	99.3
Redundancy	3.6	3.6	3.4
CC(1/2)	0.998	0.999	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.5	293	Protein at 10 mg/mL was combined at 1:1 with 21% PEG 3350, 0.1 M citrate pH 5.5