4PD8
Structure of vcCNT-7C8C bound to pyrrolo-cytidine
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 | 2011-08-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 63 |
Unit cell lengths | 119.636, 119.636, 83.064 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.160 - 2.750 |
R-factor | 0.2041 |
Rwork | 0.202 |
R-free | 0.24720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tij |
RMSD bond length | 0.003 |
RMSD bond angle | 0.646 |
Data scaling software | SCALEPACK |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
Rmerge | 0.083 | 0.046 | 0.656 |
Total number of observations | 103351 | ||
Number of reflections | 17711 | ||
<I/σ(I)> | 9.7 | ||
Completeness [%] | 99.9 | 99.1 | 100 |
Redundancy | 5.8 | 6 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 8.5 | 290 | 37-42% PEG 400, 100 mM CaCl2 |