3T8J
Structural analysis of thermostable S. solfataricus pyrimidine-specific nucleoside hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 194.940, 194.940, 42.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 100.000 - 1.600 |
| R-factor | 0.1565 |
| Rwork | 0.156 |
| R-free | 0.17040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t8i |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.399 |
| 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 | 1.700 |
| High resolution limit [Å] | 1.600 | 10.000 | 1.600 |
| Rmerge | 0.070 | 0.044 | 0.319 |
| Number of reflections | 63536 | 333 | 10373 |
| <I/σ(I)> | 35.64 | 73.29 | 11.91 |
| Completeness [%] | 99.9 | 98.5 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 100 mM Bicine, 1.5 M Ammonium sulfate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
