6I15

CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	61.180, 92.370, 97.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.080 - 1.910
R-factor	0.205
Rwork	0.203
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i10
RMSD bond length	0.013
RMSD bond angle	1.562
Data reduction software	xia2 (0.3.8.0)
Data scaling software	xia2 (0.3.8.0)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.080	1.960
High resolution limit [Å]	1.910	1.910
Rmerge	0.082	1.252
Rmeas	0.098	1.511
Rpim	0.039	0.603
Number of reflections	43448
<I/σ(I)>	11.9	1.5
Completeness [%]	99.8	99.8
Redundancy	6.4	6.1

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