4H2B
Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with Baicalin
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 | 2012-01-01 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.263, 131.056, 66.238 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.830 - 1.700 |
R-factor | 0.15131 |
Rwork | 0.150 |
R-free | 0.17976 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.058 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.670 |
Rmerge | 0.059 | 0.380 |
Number of reflections | 68724 | |
<I/σ(I)> | 16.6 | 3.2 |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 6% PEG 6,000, 0.1 M Tris-HCl, 1M ZnCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K |