6N92
Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.009, 114.319, 194.355 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.360 - 1.700 |
R-factor | 0.1526 |
Rwork | 0.151 |
R-free | 0.18410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ef8 |
RMSD bond length | 0.013 |
RMSD bond angle | 2.059 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (5.8.0230) |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.113 | 0.813 |
Rmeas | 0.122 | |
Rpim | 0.046 | |
Number of reflections | 213244 | |
<I/σ(I)> | 5.7 | 1.864 |
Completeness [%] | 99.7 | 100 |
Redundancy | 6.9 | 6.7 |
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, 2% PEG 400 |