4K5S
The crystal structure of premithramycin B in complex with MTMOIV, a baeyer-villiger monooxygenase from the mithramycin biosynthetic pathway in streptomyces argillaceus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 55.715, 79.748, 154.264 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.900 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.139 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: DEV_501)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.680 | 1.920 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 51450 | |
| <I/σ(I)> | 15.1 | 1.8 |
| Completeness [%] | 96.1 | 91.5 |
| Redundancy | 5.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 200 mM ammonium acetate, 30% PEG 1000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
