7F4T
Crystal structure of SAM-bound TthMTA1-Ptep2 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.130, 110.193, 102.636 |
| Unit cell angles | 90.00, 91.64, 90.00 |
Refinement procedure
| Resolution | 49.040 - 3.680 |
| R-factor | 0.2857 |
| Rwork | 0.283 |
| R-free | 0.32880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7f4o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.016 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.710 |
| High resolution limit [Å] | 3.650 | 3.650 |
| Rpim | 0.063 | 0.515 |
| Number of reflections | 18100 | 1209 |
| <I/σ(I)> | 10.3 | 1.125 |
| Completeness [%] | 99.4 | |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M HEPES, pH 6.8, 0.2M NaCl, 10% PEG 8000 |
