6I7J

Crystal structure of monomeric FICD mutant L258D

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 31 2 1
Unit cell lengths	118.099, 118.099, 79.638
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.800 - 2.650
R-factor	0.23077
Rwork	0.228
R-free	0.28281
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0u
RMSD bond length	0.003
RMSD bond angle	1.222
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]	62.800	2.720
High resolution limit [Å]	2.650	2.650
Rmerge	0.176	0.856
Rmeas	0.197	0.953
Rpim	0.087	0.418
Number of reflections	18963	1380
<I/σ(I)>	8.6	2.2
Completeness [%]	100.0	100
Redundancy	9.7	10
CC(1/2)	0.996	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris pH 8.5; 2.0 M Ammonium Sulphate