6UK5
Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora echinaspora involved in calicheamicin biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.078 |
| Spacegroup name | P 64 |
| Unit cell lengths | 133.290, 133.290, 81.760 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.150 - 2.600 |
| R-factor | 0.2319 |
| Rwork | 0.231 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bxo |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.768 |
| Data reduction software | DIALS (1.8.2-g5331de77-release) |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.710 | 66.710 | 2.670 |
| High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
| Rmerge | 0.148 | 0.043 | 1.177 |
| Rmeas | 0.153 | 0.045 | 1.211 |
| Rpim | 0.036 | 0.011 | 0.281 |
| Total number of observations | 459637 | 4826 | 34900 |
| Number of reflections | 25648 | 307 | 1903 |
| <I/σ(I)> | 12.2 | 27.6 | 2.7 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 17.9 | 15.7 | 18.3 |
| CC(1/2) | 0.999 | 0.999 | 0.642 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M sodium citrate pH5.5, 24% PEG 400, 0.28M ammonium acetate |
