4PNL
Crystal structure of TNKS-2 in complex with DR2313.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.000, 79.770, 153.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.320 - 1.500 |
| R-factor | 0.2072 |
| Rwork | 0.207 |
| R-free | 0.24430 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.930 |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.320 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.494 | |
| Number of reflections | 127678 | |
| <I/σ(I)> | 18.76 | 2 |
| Completeness [%] | 87.4 | 58.8 |
| Redundancy | 5.65 | 2.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M NaCl, 0.1M Sodium, Hepes buffer at pH7.5, 12-15% iso-propanol |
