6I7H

Crystal structure of dimeric FICD mutant K256S

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	2017-11-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97942
Spacegroup name	P 2 21 21
Unit cell lengths	43.815, 76.508, 131.972
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.990 - 2.250
R-factor	0.21009
Rwork	0.208
R-free	0.25863
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0u
RMSD bond length	0.003
RMSD bond angle	1.180
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.990	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.109	0.385
Rmeas	0.136	0.488
Rpim	0.079	0.295
Number of reflections	21825	1978
<I/σ(I)>	6.8	2.4
Completeness [%]	99.9	99.5
Redundancy	4.4	4.4
CC(1/2)	0.993	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris pH 8.5; 0.05 M Magnesium Chloride; 40% Ethanol