3FB1
Crystal Structure of Purine Nucleoside Phosphorylase in Complex with Ribose-1-Phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.965, 117.669, 129.514 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.733 - 2.002 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.223 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 87.092 | 129.100 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.063 | 0.035 | 0.452 |
| Total number of observations | 5871 | 15830 | |
| Number of reflections | 48547 | ||
| <I/σ(I)> | 9.362 | 15.4 | 1.5 |
| Completeness [%] | 95.1 | 97.8 | 86.7 |
| Redundancy | 2.9 | 3.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 18-20% PEG1500, 20% glycerol, 32mM Sodium Acetate, pH 4.9-5.0, vapor diffusion, temperature 277K |
