6I7G

Crystal structure of dimeric wild type FICD complexed with ATP

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	2017-12-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	77.671, 107.652, 132.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.580 - 2.700
R-factor	0.28458
Rwork	0.283
R-free	0.31868
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0u
RMSD bond length	0.002
RMSD bond angle	1.143
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.580	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.163	0.717
Rmeas	0.195	0.851
Rpim	0.104	0.456
Number of reflections	31293	4091
<I/σ(I)>	6	1.8
Completeness [%]	100.0	100
Redundancy	6.4	6.5
CC(1/2)	0.996	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M Tris pH 7.5; 20% PEG 300; 5% PEG8K; 10% Glycerol