8IA9
SpnK Methyltransferase from the Spinosyn Biosynthetic Pathway in Complex with Mg
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 | 2021-05-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 134.114, 134.114, 159.718 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.460 - 2.500 |
R-factor | 0.20964 |
Rwork | 0.208 |
R-free | 0.24327 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.237 |
Data reduction software | HKL-2000 (v718-Linux) |
Data scaling software | HKL-2000 (v718-Linux) |
Phasing software | PHASER (2.7.0) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.129 | 0.081 | 0.796 |
Total number of observations | 645766 | ||
Number of reflections | 51119 | 2810 | 2505 |
<I/σ(I)> | 5.1 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 12.6 | 11.6 | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 100 mM Sodium citrate, pH 6.3, 34% v/v PEG 200, VAPOR DIFFUSION, SITTING DROP, temperature 293K |