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 |