4P75
PheRS in complex with compound 4a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.000, 219.560, 107.520 |
| Unit cell angles | 90.00, 102.02, 90.00 |
Refinement procedure
| Resolution | 59.200 - 2.960 |
| R-factor | 0.1853 |
| Rwork | 0.184 |
| R-free | 0.21310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p71 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.200 | |
| High resolution limit [Å] | 2.960 | 2.960 |
| Rmerge | 0.174 | 0.800 |
| Number of reflections | 51957 | |
| <I/σ(I)> | 8.9 | 2.1 |
| Completeness [%] | 97.9 | 100 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 18% PEG 3350, 0.2M ammonium citrate tri-basic (pH 6.2) |
