6I12

CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5

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	2015-05-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	60.550, 87.410, 98.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.600 - 1.650
R-factor	0.1842
Rwork	0.183
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i10
RMSD bond length	0.014
RMSD bond angle	1.605
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]	60.550	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.060	1.085
Rmeas	0.072	1.283
Rpim	0.028	0.508
Total number of observations	409438
Number of reflections	63454
<I/σ(I)>	15.8	1.7
Completeness [%]	100.0	100
Redundancy	6.5	6.3

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