5XSP
The catalytic domain of GdpP with 5'-pApA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.619, 117.263, 127.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.132 - 2.146 |
| R-factor | 0.1989 |
| Rwork | 0.197 |
| R-free | 0.24330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xsi |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 38.100 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.083 | 0.491 |
| Number of reflections | 45475 | |
| <I/σ(I)> | 38.4 | |
| Completeness [%] | 99.9 | 82 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% (w/v) PEG8000, 0.1 M imidazole pH 7.5, 0.2 M calcium acetate. |
