9ICZ
C-Methyltransferase SeMT from Saccharopolyspora erythraea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-13 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 152.960, 212.990, 48.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.250 - 1.580 |
| R-factor | 0.1736 |
| Rwork | 0.173 |
| R-free | 0.19290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.760 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.120 | 1.620 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmeas | 0.059 | 2.184 |
| Number of reflections | 106524 | 7866 |
| <I/σ(I)> | 11.38 | 0.64 |
| Completeness [%] | 98.4 | 99.2 |
| Redundancy | 4.22 | 4.3 |
| CC(1/2) | 0.999 | 0.306 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | sodium citrate, Tris-HCl, lithium sulfate, ammonium sulfate, sodium chloride, dimethylsulfoxide, S-adenosyl homocysteine, 1,6-diaminohexane |
