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 |