7JV9
Human CD73 (ecto 5'-nucleotidase) in complex with compound 12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-18 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 231.933, 93.794, 54.922 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 115.970 - 2.700 |
R-factor | 0.2108 |
Rwork | 0.209 |
R-free | 0.27890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tve |
RMSD bond length | 0.009 |
RMSD bond angle | 1.380 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 115.970 | 2.950 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmeas | 0.095 | 0.518 |
Number of reflections | 31804 | 7483 |
<I/σ(I)> | 10.06 | |
Completeness [%] | 93.8 | 96.3 |
Redundancy | 3.3 | 3.3 |
CC(1/2) | 0.996 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.25 | 277.15 | 12.50 %w/v PEG 1500, 0.10M SPG (Succinic Acid, Sodium Dihydrogen Phosphate and Glycine) pH=4.25 |