4DAO
Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with adenine
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 | 136.458, 136.458, 55.484 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.220 |
| R-factor | 0.1512 |
| Rwork | 0.148 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.517 |
| Data reduction software | HKL-2000 |
| 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 | 2.300 |
| High resolution limit [Å] | 2.220 | 4.780 | 2.220 |
| Rmerge | 0.044 | 0.026 | 0.285 |
| Number of reflections | 29480 | ||
| <I/σ(I)> | 18.5 | ||
| Completeness [%] | 99.8 | 99.6 | 98.3 |
| Redundancy | 5.6 | 5.5 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 291 | 0.1 M sodium acetate, 3.2 M sodium chloride, 5%(v/v) glycerol, pH 4.6, vapor diffusion, temperature 291K |
