4D8V
Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis at pH 4.2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 136.827, 136.827, 57.108 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.350 |
| R-factor | 0.2275 |
| Rwork | 0.225 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.365 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 5.060 | 2.350 |
| Rmerge | 0.092 | 0.051 | 0.488 |
| Number of reflections | 25344 | ||
| <I/σ(I)> | 15.9 | ||
| Completeness [%] | 98.3 | 99.8 | 97.4 |
| Redundancy | 7.6 | 8.4 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.2 | 291 | 0.1 M sodium phosphate, 2 M ammonium sulfate, pH 4.2, vapor diffusion, temperature 291K |
