1Q0Z
Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin A (DcmA)
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 | 2002-08-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8110 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.106, 84.875, 44.389 |
| Unit cell angles | 90.00, 99.99, 90.00 |
Refinement procedure
| Resolution | 26.310 - 1.950 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.18500 |
| Structure solution method | MIR |
| Starting model (for MR) | PDB code 1Q0R another RdmC+substrate complex |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.294 |
| 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] | 30.000 * | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.106 * | 0.413 * |
| Total number of observations | 95945 * | |
| Number of reflections | 19636 | |
| <I/σ(I)> | 15 | 3.3 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 294 | Ammonium sulphate, PEG400, Hepes buffer, pH 7.5, VAPOR DIFFUSION, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | AcmA | 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 |
