6HQR

Crystal structure of GcoA F169H bound to syringol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	102.104, 102.104, 109.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.052 - 1.790
R-factor	0.1706
Rwork	0.169
R-free	0.19910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncb
RMSD bond length	0.016
RMSD bond angle	1.353
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.230	1.840
High resolution limit [Å]	1.790	1.790
Number of reflections	53703
<I/σ(I)>	15.8	2.2
Completeness [%]	100.0
Redundancy	12.5
CC(1/2)	0.999	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	Sodium malonate, HEPES, syringol.