5J4Y

The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	105
Detector technology	CCD
Collection date	2013-05-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 6
Unit cell lengths	109.250, 109.250, 66.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.620 - 2.590
R-factor	0.173
Rwork	0.170
R-free	0.23800
RMSD bond length	0.010
RMSD bond angle	1.090
Data scaling software	Aimless (0.5.21)
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.620	54.620	2.730
High resolution limit [Å]	2.590	8.190	2.590
Rmerge	0.057	0.016	0.771
Number of reflections	14072
<I/σ(I)>	23
Completeness [%]	98.5	96.1	99.5
Redundancy	5.7	5.5	5.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	25-30% Peg400, 0.1 M LiSO4, 0.1M HEPES (pH 7.0), 0.2 M NaCl