7ZSO
human purine nucleoside phosphorylase in complex with JS-554
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.5 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.480, 119.330, 130.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.810 - 1.950 |
R-factor | 0.2167 |
Rwork | 0.216 |
R-free | 0.26150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7zsl |
RMSD bond length | 0.008 |
RMSD bond angle | 1.515 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 65544 | 4612 |
<I/σ(I)> | 9.29 | |
Completeness [%] | 97.5 | |
Redundancy | 6.64 | |
CC(1/2) | 0.996 | 0.290 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 500 mM Ammonium sulfate; 1.00 M Lithium sulfate 100 mM; tri-Sodium citrate; pH 5.6 |