6YCK

Crystal structure of GcoA T296A bound to p-vanillin

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	2019-08-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97628
Spacegroup name	P 43 21 2
Unit cell lengths	105.101, 105.101, 113.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.280 - 1.800
R-factor	0.1614
Rwork	0.160
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncb
RMSD bond length	0.006
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.280	1.865
High resolution limit [Å]	1.800	1.801
Rmerge		0.150
Number of reflections	59017	5753
<I/σ(I)>	38.36	4.96
Completeness [%]	99.8
Redundancy	2
CC(1/2)	1.000	0.943

Crystallization Conditions

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