6OW0
Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+ and PEG
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 | 2017-11-15 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 4 2 2 |
| Unit cell lengths | 124.679, 124.679, 107.359 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.670 |
| R-factor | 0.18332 |
| Rwork | 0.181 |
| R-free | 0.22848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ovx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.451 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.160 | 0.809 |
| Rpim | 0.066 | 0.329 |
| Number of reflections | 24728 | 1208 |
| <I/σ(I)> | 15.4 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 19% PEG400, 0.1 M Hepes, 7.0, 0.2 M CaCl2. |
