5LOR
human NUDT22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.87 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.332, 46.565, 120.678 |
| Unit cell angles | 90.00, 94.27, 90.00 |
Refinement procedure
| Resolution | 49.234 - 2.192 |
| R-factor | 0.2028 |
| Rwork | 0.200 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NUDT22 apo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.074 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (dev_1631) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.234 | 2.310 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.092 | 1.032 |
| Number of reflections | 29705 | |
| <I/σ(I)> | 12.32 | |
| Completeness [%] | 98.2 | 94 |
| Redundancy | 4.91 | 4.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 27.5% PEG3350, 0.1 M Bis Tris pH 5.25, 0.1 M ammonium sulfate, and 0.1 M MgCl2 |
