6N97
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-amino(dethia)-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-25 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.961, 114.614, 192.338 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.750 |
R-factor | 0.1491 |
Rwork | 0.147 |
R-free | 0.17940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ef8 |
RMSD bond length | 0.012 |
RMSD bond angle | 2.000 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.8.0238) |
Refinement software | REFMAC (refmac_5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.093 | 1.018 |
Rmeas | 0.101 | |
Rpim | 0.038 | |
Total number of observations | 1242089 | |
Number of reflections | 189024 | |
<I/σ(I)> | 7.6 | 2.387 |
Completeness [%] | 97.5 | 94.9 |
Redundancy | 6.6 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 150 mM sodium chloride, 100 mM imidazole, 0.4 M Monosodium phosphate/1.6 M Dipotassium phosphate |