9KKD
the structure of StnY
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 | 2023-04-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.706, 53.626, 103.937 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.470 - 1.850 |
| R-factor | 0.21082 |
| Rwork | 0.208 |
| R-free | 0.25484 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.821 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.058 | 0.939 |
| Rpim | 0.017 | 0.260 |
| Number of reflections | 15363 | 755 |
| <I/σ(I)> | 35.24 | 2.18 |
| Completeness [%] | 99.9 | 97 |
| Redundancy | 12.3 | |
| CC(1/2) | 0.996 | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | sodium cacodylate trihydrate, sodium acetate trihydrate |
