4KSF
Crystal Structure of Malonyl-CoA decarboxylase from Agrobacterium vitis, Northeast Structural Genomics Consortium Target RiR35
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 | 2011-07-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97900 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 100.412, 100.412, 242.736 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.140 - 3.100 |
R-factor | 0.223 |
Rwork | 0.220 |
R-free | 0.29100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ksa |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
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 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.105 | 0.551 |
Number of reflections | 21321 | |
<I/σ(I)> | 15.94 | 2.65 |
Completeness [%] | 99.3 | 99.8 |
Redundancy | 5.2 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 291 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Precipitation solution: 200 mM ammonium sulfate and 20% (w/v) PEG3350, microbatch, temperature 291K |