6VL7

Crystal structure of the H583C 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	2018-06-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	109.811, 93.285, 188.572
Unit cell angles	90.00, 95.08, 90.00

Refinement procedure

Resolution	49.191 - 2.140
R-factor	0.157
Rwork	0.157
R-free	0.21120
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]	49.191	2.180
High resolution limit [Å]	2.140	2.140
Rmerge	0.087	0.605
Rmeas	0.101	0.703
Rpim	0.051	0.354
Number of reflections	207973	10307
<I/σ(I)>	9.2	2.1
Completeness [%]	99.4	100
Redundancy	3.7	3.9
CC(1/2)	0.997	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293	1uL protein was combined with 1uL precipitant solution containing 25% PEG 3350, 0.1 M HEPES pH 7.5 and 0.1 M ammonium sulfate