7JV8
Human CD73 (ecto 5'-nucleotidase) in complex with compound 35
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.99997 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.876, 102.354, 129.609 |
Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
Resolution | 126.170 - 2.460 |
R-factor | 0.221 |
Rwork | 0.220 |
R-free | 0.27900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tve |
RMSD bond length | 0.011 |
RMSD bond angle | 1.561 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 126.170 | 2.710 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmeas | 0.102 | 0.534 |
Number of reflections | 77008 | 19622 |
<I/σ(I)> | 11.15 | |
Completeness [%] | 94.7 | 96.2 |
Redundancy | 2.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 277.15 | 0.10M SPG (Succinic Acid, Sodium Dihydrogen Phosphate and Glycine) pH=4.00, 19.00 %w/v PEG 1500 |