7VVV
Crystal structure of MmtN
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 | 2019-11-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.734, 131.277, 134.465 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.360 - 2.450 |
| R-factor | 0.1972 |
| Rwork | 0.195 |
| R-free | 0.23970 |
| Structure solution method | SAD |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.360 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.085 | 0.455 |
| Rmeas | 0.092 | 0.499 |
| Rpim | 0.036 | 0.201 |
| Number of reflections | 43546 | 3945 |
| <I/σ(I)> | 16.8 | 2.2 |
| Completeness [%] | 98.6 | 90.43 |
| Redundancy | 3.4 | 3 |
| CC(1/2) | 0.994 | 0.927 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | PEG 3350, sodium acetate trihydrate |
