4WXH
Carminomycin-4-O-methyltransferase (DnrK) variant (298Ser insert) in complex with S-adenosyl-L-homocysteine (SAH) and aclacinomycin T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9751 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.803, 100.995, 62.398 |
| Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
| Resolution | 52.168 - 1.900 |
| R-factor | 0.1952 |
| Rwork | 0.193 |
| R-free | 0.23350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tw3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.318 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.100 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.676 | |
| Number of reflections | 55954 | |
| <I/σ(I)> | 6.8 | 2.2 |
| Completeness [%] | 96.8 | 95.7 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 293 | 0.1 M BisTris, 24% PEG3350, 0.2 M ammonium sulphate |
