6I7I

Crystal structure of dimeric FICD mutant K256A complexed with MgATP

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	2018-04-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 2 21 21
Unit cell lengths	41.902, 73.983, 134.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.110 - 2.330
R-factor	0.28498
Rwork	0.283
R-free	0.32483
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0u
RMSD bond length	0.003
RMSD bond angle	0.763
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	134.040	2.410
High resolution limit [Å]	2.320	2.320
Rmerge	0.107	0.636
Rmeas	0.141	0.831
Rpim	0.090	0.530
Number of reflections	18543	1712
<I/σ(I)>	5.6	1
Completeness [%]	99.4	97.3
Redundancy	3.7	3.7
CC(1/2)	0.995	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis-Tris pH 6.5; 0.2 M Magnesium Chloride; 25% PEG3350