5CHI

Crystal structure of PF2046 in complex with ssDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	69.010, 85.903, 69.204
Unit cell angles	90.00, 118.44, 90.00

Refinement procedure

Resolution	34.588 - 2.472
R-factor	0.186
Rwork	0.182
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o8u
RMSD bond length	0.010
RMSD bond angle	1.358
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.620
High resolution limit [Å]	2.470	7.370	2.470
Rmerge	0.133	0.046	0.709
Rmeas	0.145	0.050	0.776
Total number of observations	162455
Number of reflections	24745	1004	3319
<I/σ(I)>	12.54	36.74	2.1
Completeness [%]	96.5	98.6	80.8
Redundancy	6.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M sodium malonate, 0.1M Tris pH 8.0, 30% (w/v) PEG 1000