4ZIB
Crystal Structure of the C-terminal domain of PylRS mutant bound with 3-benzothienyl-l-alanine and ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 64 |
| Unit cell lengths | 105.140, 105.140, 70.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.233 - 2.054 |
| R-factor | 0.1732 |
| Rwork | 0.170 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zim |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.772 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.230 | 2.180 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.062 | 0.634 |
| Number of reflections | 27798 | |
| <I/σ(I)> | 31.2 | 4.75 |
| Completeness [%] | 99.4 | 99.2 |
| Redundancy | 19.71 | 20.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Hepes, MgCl2, PEG3350 |
