6I7L

Crystal structure of monomeric FICD mutant L258D complexed with MgAMP-PNP

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 64 2 2
Unit cell lengths	186.358, 186.358, 77.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	93.180 - 2.320
R-factor	0.21635
Rwork	0.215
R-free	0.25095
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0u
RMSD bond length	0.003
RMSD bond angle	1.173
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]	93.180	2.390
High resolution limit [Å]	2.310	2.310
Rmerge	0.071	0.611
Rmeas	0.089	0.771
Rpim	0.054	0.465
Number of reflections	34573	3351
<I/σ(I)>	10.3	1.8
Completeness [%]	99.4	99.1
Redundancy	4.6	4.6
CC(1/2)	0.998	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.5 M Sodium Chloride; 10% Ethanol