7SEA

Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-07
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	69.131, 138.651, 66.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.270 - 1.910
R-factor	0.1984
Rwork	0.196
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ipx
RMSD bond length	0.011
RMSD bond angle	1.076
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.960	1.950
High resolution limit [Å]	1.910	1.910
Rmerge	0.059	0.833
Rmeas	0.063	0.899
Rpim	0.023	0.334
Number of reflections	25161	1639
<I/σ(I)>	17.4	2.3
Completeness [%]	99.8
Redundancy	7.3
CC(1/2)	1.000	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.75-3.3 M Sodium Formate