7ZAU

Fascin-1 in complex with Nb 3E11

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	2017-12-07
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	70.907, 210.324, 105.469
Unit cell angles	90.00, 91.26, 90.00

Refinement procedure

Resolution	59.440 - 2.200
R-factor	0.2491
Rwork	0.247
R-free	0.29040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3llp 2x1o
RMSD bond length	0.003
RMSD bond angle	0.670
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4085)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.160	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.065	0.611
Rmeas	0.077	0.748
Rpim	0.042	0.427
Number of reflections	155971	7600
<I/σ(I)>	7.7	1.1
Completeness [%]	99.9	97.9
Redundancy	3.3	2.8
CC(1/2)	0.998	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.02 M D-glucose, D-mannose, D-galactose, L-fucose, D-xylose, N-acetyl-D-glucosamine; 0.1 M MES/imidazole pH 6.5, 10% PEG 8000, 20% ethylene glycol