7MFJ
Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae
This is a non-PDB format compatible entry.
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 | 2021-02-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.801, 91.801, 140.122 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.403 - 2.351 |
| Rwork | 0.171 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6pmu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.433 |
| 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 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.098 | 0.429 |
| Rmeas | 0.127 | 0.472 |
| Rpim | 0.037 | 0.147 |
| Number of reflections | 25330 | 1249 |
| <I/σ(I)> | 17.5 | 5 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 11.5 | 9.8 |
| CC(1/2) | 0.941 | 0.941 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1 M Sodium malonate pH 6, 12% PEG 3350 |
