7F4R
Crystal structure of MTA1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.872, 112.947, 81.851 |
| Unit cell angles | 90.00, 97.81, 90.00 |
Refinement procedure
| Resolution | 28.730 - 1.830 |
| R-factor | 0.211 |
| Rwork | 0.210 |
| R-free | 0.24060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7f4o |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.404 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rpim | 0.049 | 0.410 |
| Number of reflections | 54422 | 3299 |
| <I/σ(I)> | 11.79 | 1.43 |
| Completeness [%] | 92.4 | |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.15M potassium sodium tartrate, 18% PEG 3350 |
