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 |