4PD9
Structure of vcCNT-7C8C bound to adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0004 |
| Spacegroup name | P 63 |
| Unit cell lengths | 120.001, 120.001, 83.488 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.723 - 3.096 |
| R-factor | 0.2258 |
| Rwork | 0.224 |
| R-free | 0.26940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tij |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.617 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.150 |
| High resolution limit [Å] | 3.096 | 8.400 | 3.100 |
| Rmerge | 0.104 | 0.057 | 0.567 |
| Total number of observations | 52273 | ||
| Number of reflections | 12437 | ||
| <I/σ(I)> | 5.8 | ||
| Completeness [%] | 99.0 | 98.2 | 96.5 |
| Redundancy | 4.2 | 4.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 8.5 | 290 | 37-42% PEG 400, 100 mM CaCl2 |
