7ZSN
human purine nucleoside phosphorylase in complex with JS-379
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 | 2021-07-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918 |
Spacegroup name | H 3 2 |
Unit cell lengths | 141.720, 141.720, 162.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.010 - 2.360 |
R-factor | 0.222 |
Rwork | 0.220 |
R-free | 0.25870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7zsl |
RMSD bond length | 0.006 |
RMSD bond angle | 1.597 |
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] | 49.010 | 2.500 |
High resolution limit [Å] | 2.360 | 2.360 |
Number of reflections | 50135 | 8049 |
<I/σ(I)> | 7.89 | |
Completeness [%] | 99.9 | |
Redundancy | 10.18 | |
CC(1/2) | 0.999 | 0.351 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 15.00 % w/v Polyethylene glycol 8,000; 500 mM Lithium sulfate; 100 mM Sodium acetate; pH 4.6; 1 mM TEW |