6OVQ
Crystal structure of mithramycin 3-side chain keto-reductase MtmW
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 | 2015-02-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 4 |
| Unit cell lengths | 131.105, 131.105, 79.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.000 - 1.800 |
| R-factor | 0.18589 |
| Rwork | 0.184 |
| R-free | 0.21276 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3erp |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.264 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.077 | 0.675 |
| Number of reflections | 61625 | 3022 |
| <I/σ(I)> | 29 | |
| Completeness [%] | 97.5 | 95.5 |
| Redundancy | 4.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 14% w/v PEG1500, 0.1 M Na-Citrate, pH 6.0 |
