7P9T
Crystal structure of CD73 in complex with dCMP 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 | CCD |
Collection date | 2016-10-04 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.8943 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 68.104, 132.846, 67.404 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.950 - 1.790 |
R-factor | 0.1868 |
Rwork | 0.185 |
R-free | 0.21680 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4h2g |
RMSD bond length | 0.013 |
RMSD bond angle | 1.900 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.950 | 47.910 | 1.820 |
High resolution limit [Å] | 1.790 | 9.120 | 1.790 |
Rmerge | 0.107 | 0.025 | 0.994 |
Rmeas | 0.122 | 0.029 | 1.140 |
Rpim | 0.059 | 0.015 | 0.551 |
Number of reflections | 58377 | 489 | 3288 |
<I/σ(I)> | 11.1 | ||
Completeness [%] | 99.7 | 94.6 | 99.1 |
Redundancy | 4.1 | 3.4 | 4.1 |
CC(1/2) | 0.997 | 0.999 | 0.546 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 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 50 mM dCMP. Crystals were then transferred to cryo solution containing an additional 20 % glycerol, soaked for ~2-5 min, and flash frozen in liquid nitrogen. |