7ZSP
human purine nucleoside phosphorylase in complex with JS-555
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 | 142.360, 142.360, 163.610 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.280 - 2.290 |
R-factor | 0.2151 |
Rwork | 0.214 |
R-free | 0.25580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7zsl |
RMSD bond length | 0.007 |
RMSD bond angle | 1.634 |
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 | 2.430 |
High resolution limit [Å] | 2.290 | 2.290 |
Number of reflections | 55748 | 8856 |
<I/σ(I)> | 13.87 | |
Completeness [%] | 99.7 | |
Redundancy | 10.1 | |
CC(1/2) | 0.999 | 0.307 |
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 |