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. |