3OFS
Dynamic conformations of the CD38-mediated NAD cyclization captured using multi-copy crystallography
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-16 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97623 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.655, 146.662, 191.086 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.730 - 2.200 |
R-factor | 0.2057 |
Rwork | 0.203 |
R-free | 0.24960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yh3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.170 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.095 | 0.060 | 0.354 |
Number of reflections | 79445 | ||
<I/σ(I)> | 12.6 | ||
Completeness [%] | 97.7 | 98.6 | 89.9 |
Redundancy | 7.1 | 8.4 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 0.1M sodium acetate pH 4.0, 15% PEG 4000, 0.2M ammonium acetate, 3% isopropanol, vapor diffusion, hanging drop, temperature 298K |