7JV8
Human CD73 (ecto 5'-nucleotidase) in complex with compound 35
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.99997 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.876, 102.354, 129.609 |
| Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
| Resolution | 126.170 - 2.460 |
| R-factor | 0.221 |
| Rwork | 0.220 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tve |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.561 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 126.170 | 2.710 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmeas | 0.102 | 0.534 |
| Number of reflections | 77008 | 19622 |
| <I/σ(I)> | 11.15 | |
| Completeness [%] | 94.7 | 96.2 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 277.15 | 0.10M SPG (Succinic Acid, Sodium Dihydrogen Phosphate and Glycine) pH=4.00, 19.00 %w/v PEG 1500 |
