6YCI

Crystal structure of GcoA T296G bound to guaiacol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97955
Spacegroup name	P 43 21 2
Unit cell lengths	104.065, 104.065, 116.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.520 - 1.800
R-factor	0.1668
Rwork	0.166
R-free	0.18720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncb
RMSD bond length	0.009
RMSD bond angle	1.104
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASES
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.525	1.862
High resolution limit [Å]	1.798	1.798
Rmerge		0.153
Number of reflections	60018	5887
<I/σ(I)>	26.18
Completeness [%]	99.9
Redundancy	2
CC(1/2)	1.000	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Na Malonate, HEPES, guaiacol