6I17

CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24

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	2016-04-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	60.444, 87.107, 97.972
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.180 - 1.560
R-factor	0.2078
Rwork	0.206
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i10
RMSD bond length	0.016
RMSD bond angle	1.727
Data reduction software	xia2 (0.4.0.291)
Data scaling software	xia2 (0.4.0.291)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.970	1.590
High resolution limit [Å]	1.560	1.560
Rmerge	0.069	1.281
Rmeas	0.076	1.413
Rpim	0.031	0.590
Number of reflections	74348
<I/σ(I)>	12.5	1.3
Completeness [%]	100.0	100
Redundancy	6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	292	18-22% PEG 8000, 100-130 mM MgAc2, 100 mM citric acid pH 5.0