7XXC
Orf1-glycine-glycylthricin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2021-03-13 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 103.471, 108.062, 134.557 |
| Unit cell angles | 89.75, 90.08, 96.50 |
Refinement procedure
| Resolution | 27.822 - 1.989 |
| Rwork | 0.198 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xqa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.423 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.060 |
| High resolution limit [Å] | 1.989 | 1.990 |
| Rmerge | 0.037 | 0.260 |
| Rmeas | 0.041 | 0.290 |
| Rpim | 0.018 | 0.127 |
| Number of reflections | 388255 | 37016 |
| <I/σ(I)> | 38.1 | |
| Completeness [%] | 97.5 | 93.2 |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl pH8.5, 0.2 M KBr, 8 % PEG 550 MME and 8 % PEG 20000 |
