4PD7
Structure of vcCNT bound to zebularine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 63 |
| Unit cell lengths | 119.811, 119.811, 82.658 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.217 - 2.909 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tij |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.676 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.141 | 0.054 | 0.766 |
| Total number of observations | 86190 | ||
| Number of reflections | 14952 | ||
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 5.8 | 6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 9.5 | 290 | 37-42% PEG 400, 100 mM CaCl2 |
