9GS6

Crystal structure of fascin in complex with compound 4

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9163
Spacegroup name	P 21 21 21
Unit cell lengths	60.250, 88.060, 98.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.730 - 1.970
R-factor	0.2298
Rwork	0.228
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.753
Data reduction software	XDS
Data scaling software	xia2 (0.3.8.0)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.730	49.730	2.020
High resolution limit [Å]	1.970	8.810	1.970
Rmerge	0.172	0.024	1.958
Rmeas	0.205	0.028	2.345
Rpim	0.079	0.012	0.893
Total number of observations	245372
Number of reflections	37664	495	2751
<I/σ(I)>	10.8	59.7	0.9
Completeness [%]	99.8	99.7	99.9
Redundancy	6.5	6.1	6.8

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