3P0F
Structure of hUPP2 in an inactive conformation with bound 5-benzylacyclouridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 59.696, 59.696, 189.307 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.540 |
| R-factor | 0.1917 |
| Rwork | 0.191 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PBD ENTRY 3EUF |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.392 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.600 |
| High resolution limit [Å] | 1.540 | 3.320 | 1.540 |
| Rmerge | 0.055 | 0.037 | 0.480 |
| Number of reflections | 51429 | ||
| <I/σ(I)> | 13.2 | ||
| Completeness [%] | 99.1 | 98.9 | 93.1 |
| Redundancy | 6.6 | 7.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 20% polyvinylpyrrolidone K15, 0.1M cobalt chloride, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
