9R0H
Human CD73 (ecto 5'-nucleotidase) in complex with compound 6 (ORIC-533)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 230.962, 93.030, 54.955 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 115.480 - 2.280 |
| R-factor | 0.19942 |
| Rwork | 0.198 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.654 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 115.480 | 2.530 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.430 | |
| Rmeas | 0.087 | |
| Number of reflections | 54311 | 14403 |
| <I/σ(I)> | 14.44 | |
| Completeness [%] | 98.6 | 99.2 |
| Redundancy | 5.2 | 5.1 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | SPG buffer 0.1M pH4.0, 15% Peg 1500 |
