1Q0R
Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8094 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.200, 84.700, 44.300 |
| Unit cell angles | 90.00, 99.99, 90.00 |
Refinement procedure
| Resolution | 18.450 - 1.450 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.18700 |
| Structure solution method | MIR |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.331 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.041 * | 0.273 * |
| Total number of observations | 234728 * | |
| Number of reflections | 34733 | |
| <I/σ(I)> | 15.1 | 2 |
| Completeness [%] | 84.8 | 63.5 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | Ammonium sulphate, PEG400, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | AcmT | 1.2 (mM) | |
| 2 | 1 | drop | protein | 10 (mg/ml) | |
| 3 | 1 | drop | Tris-HCl | 50 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | pH7.5 |
