7BBU
Crystal Structure of human Prolyl-tRNA synthetase in complex with NCP26 and L-Proline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 87.090, 87.090, 108.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.948 - 2.190 |
| R-factor | 0.2071 |
| Rwork | 0.206 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k86 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.471 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.950 | 61.950 | 2.250 |
| High resolution limit [Å] | 2.190 | 9.790 | 2.190 |
| Rmerge | 0.329 | 0.057 | 4.014 |
| Rmeas | 0.338 | 0.059 | 4.128 |
| Rpim | 0.075 | 0.014 | 0.956 |
| Total number of observations | 505143 | 5478 | 33603 |
| Number of reflections | 25083 | 331 | 1840 |
| <I/σ(I)> | 8.8 | 41.5 | 0.8 |
| Completeness [%] | 100.0 | 99.7 | 99.8 |
| Redundancy | 20.1 | 16.5 | 18.3 |
| CC(1/2) | 0.997 | 0.999 | 0.341 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% PEG3350, 0.2 M NH4NO3, 5 mM L-Pro, 2mM NCP26 |
