4D9H
Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with adenosine
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 | 135.724, 135.724, 56.098 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.910 |
| R-factor | 0.1469 |
| Rwork | 0.145 |
| R-free | 0.17480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.359 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 39.180 | 2.010 |
| High resolution limit [Å] | 1.910 | 6.040 | 1.910 |
| Rmerge | 0.057 | 0.559 | |
| Total number of observations | 9422 | 41184 | |
| Number of reflections | 46265 | ||
| <I/σ(I)> | 14.6 | 9.2 | 1.4 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 6.3 | 6.1 | 6.2 |
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 |
