9R0D
Human CD73 (ecto 5'-nucleotidase) in complex with compound 7
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 231.987, 94.009, 55.522 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 115.990 - 2.400 |
| R-factor | 0.21449 |
| Rwork | 0.214 |
| R-free | 0.25464 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.513 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 115.990 | 2.650 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.429 | |
| Rmeas | 0.155 | |
| Number of reflections | 47591 | 12071 |
| <I/σ(I)> | 8.34 | 2.51 |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.996 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | SPG buffer 0.1M pH4.0, 15% Peg 1500 |
