7P9R
Crystal structure of CD73 in complex with GMP in the open form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8943 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 67.226, 131.534, 66.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.220 - 1.410 |
| R-factor | 0.1303 |
| Rwork | 0.128 |
| R-free | 0.16720 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4h2g |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.818 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.220 | 47.170 | 1.430 |
| High resolution limit [Å] | 1.410 | 7.730 | 1.410 |
| Rmerge | 0.088 | 0.019 | 1.006 |
| Rmeas | 0.101 | 0.023 | 1.158 |
| Rpim | 0.048 | 0.012 | 0.565 |
| Total number of observations | 2688 | 21699 | |
| Number of reflections | 113297 | 761 | 5495 |
| <I/σ(I)> | 9.6 | 34.8 | 1.1 |
| Completeness [%] | 99.8 | 96.8 | 98.4 |
| Redundancy | 4.1 | 3.5 | 3.9 |
| CC(1/2) | 0.998 | 0.999 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 292.15 | 7 mg/mL protein concentration, 100 mM Tris pH 7.8, 10 % PEG6000, equal amounts of protein and reservoir. Following crystal formation (1-2 days), the crystals were transferred to soaking solution containing reservoir solution and 10 mM GMP. Crystals were then transferred to cryo solution containing an additional 20 % glycerol, soaked for ~2-5 min, and flash frozen in liquid nitrogen. |
