7P9N
Crystal structure of CD73 in complex with AMP 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 | 2016-06-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.345, 131.346, 66.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.270 - 1.550 |
R-factor | 0.1533 |
Rwork | 0.152 |
R-free | 0.17720 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4h2g |
RMSD bond length | 0.015 |
RMSD bond angle | 2.041 |
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] | 47.270 | 47.230 | 1.580 |
High resolution limit [Å] | 1.550 | 8.510 | 1.550 |
Rmerge | 0.103 | 0.048 | 0.422 |
Rmeas | 0.113 | 0.053 | 0.487 |
Rpim | 0.044 | 0.022 | 0.235 |
Total number of observations | 3311 | 9598 | |
Number of reflections | 78906 | 602 | 2429 |
<I/σ(I)> | 11.5 | 26.1 | 2.6 |
Completeness [%] | 92.6 | 98.4 | 58.5 |
Redundancy | 6.2 | 5.5 | 4 |
CC(1/2) | 0.997 | 0.997 | 0.822 |
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 100 mM AMP. Crystals were then transferred to cryo solution containing an additional 20 % glycerol, soaked for ~2-5 min, and flash frozen in liquid nitrogen. |