3T8I
Structural analysis of thermostable S. solfataricus purine-specific nucleoside hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.760, 81.130, 98.020 |
| Unit cell angles | 90.00, 100.70, 90.00 |
Refinement procedure
| Resolution | 96.230 - 1.800 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.21360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mas |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.476 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 10.000 | 1.800 |
| Rmerge | 0.087 | 0.024 | 0.619 |
| Number of reflections | 119836 | 742 | 17747 |
| <I/σ(I)> | 14.69 | 46.55 | 2.89 |
| Completeness [%] | 99.1 | 98 | 98.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 100 mM HEPES, 5% PEG 3350, 5 mM CaCl2, 5 mM CdCl2, 5 mM MgCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
