7LVY
Crystal Structure of Tetur04g02350
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.159, 61.596, 78.861 |
| Unit cell angles | 90.00, 106.15, 90.00 |
Refinement procedure
| Resolution | 38.880 - 1.850 |
| R-factor | 0.1835 |
| Rwork | 0.182 |
| R-free | 0.21890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6pnt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.684 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.058 | 0.479 |
| Rmeas | 0.069 | 0.573 |
| Rpim | 0.037 | 0.309 |
| Number of reflections | 41813 | 2095 |
| <I/σ(I)> | 23.1 | 2.1 |
| Completeness [%] | 96.2 | 96.8 |
| Redundancy | 3.5 | 3.1 |
| CC(1/2) | 0.997 | 0.867 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 2.1 M DL-Malic acid |
