7XXM
Orf1-glycine-4-aminobutylthricin 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 | 2022-03-11 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 103.644, 107.875, 134.782 |
| Unit cell angles | 89.96, 90.13, 83.44 |
Refinement procedure
| Resolution | 29.393 - 2.119 |
| Rwork | 0.195 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xqa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.410 |
| 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 | 2.200 |
| High resolution limit [Å] | 2.119 | 2.120 |
| Rmerge | 0.047 | 0.600 |
| Rmeas | 0.053 | 0.680 |
| Rpim | 0.025 | 0.320 |
| Number of reflections | 322706 | 31907 |
| <I/σ(I)> | 30 | 2.5 |
| Completeness [%] | 98.2 | 97.1 |
| Redundancy | 4.6 | 4.5 |
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 |
