7XYL
E426Q-glycine-glycylthricin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2021-07-09 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 103.375, 107.369, 135.041 |
| Unit cell angles | 89.98, 89.99, 83.61 |
Refinement procedure
| Resolution | 28.114 - 2.099 |
| Rwork | 0.197 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xqa |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.376 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.099 | 2.100 |
| Rmerge | 0.054 | 0.661 |
| Rmeas | 0.060 | 0.742 |
| Rpim | 0.027 | 0.336 |
| Number of reflections | 330834 | 32632 |
| <I/σ(I)> | 29.6 | 2.4 |
| Completeness [%] | 98.2 | 97.1 |
| Redundancy | 4.9 | 4.7 |
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 |
