7VVX
MmtN-SAH-Met complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-10-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.910, 131.100, 134.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.570 - 2.510 |
| Rwork | 0.232 |
| R-free | 0.25470 |
| Structure solution method | SAD |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.570 | 2.600 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.088 | 1.755 |
| Rmeas | 0.091 | 1.823 |
| Rpim | 0.025 | 0.489 |
| Number of reflections | 41239 | 4072 |
| <I/σ(I)> | 17.2 | 1.9 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 13 | 13.6 |
| CC(1/2) | 0.999 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 2% (vol/vol) PEG 400, 0.1M imidazole (pH 7.0), 24% (wt/vol) PEG MME 5000 |
