5NSP
Crystal structure of TNKS2 in complex with OD334
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976250 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.060, 98.140, 119.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.390 - 2.300 |
| R-factor | 0.19289 |
| Rwork | 0.190 |
| R-free | 0.24717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u9h |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.735 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 45.390 |
| High resolution limit [Å] | 2.300 |
| Rmerge | 0.198 |
| Number of reflections | 23860 |
| <I/σ(I)> | 8.5 |
| Completeness [%] | 100.0 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 24%/26% PEG3350, 0.2M Lithium sulfate, 0.1M Tris-HCl |
