4KS9
Crystal Structure of Malonyl-CoA decarboxylase (Rmet_2797) from Cupriavidus metallidurans, Northeast Structural Genomics Consortium Target CrR76
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-24 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97908 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 191.015, 69.392, 74.362 |
Unit cell angles | 90.00, 103.80, 90.00 |
Refinement procedure
Resolution | 28.750 - 2.300 |
R-factor | 0.24 |
Rwork | 0.239 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | structure of MCD from Rhodopseudomonas palustris which will be deposited after this entry. |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.063 | 0.441 |
Number of reflections | 44261 | |
<I/σ(I)> | 23 | 2.7 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 291 | Protein solution: 20 mM Tris (pH 7), 250 mM NaCl, 5% (v/v) glycerol, 3 mM malonyl-CoA. Precipitation solution: 160 mM magnesium chloride, 80 mM Tris (pH 8.5), 24% (w/v) PEG4000, 20% (v/v) glycerol, and 3% (v/v) ethanol, Microbatch, temperature 291K |