6ES9
Methylsuccinyl-CoA dehydrogenase of Paracoccus denitrificans with bound flavin adenine dinucleotide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979026 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.596, 105.193, 138.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.573 - 1.370 |
R-factor | 0.176 |
Rwork | 0.176 |
R-free | 0.18470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n5f |
RMSD bond length | 0.016 |
RMSD bond angle | 1.405 |
Data reduction software | TRUNCATE |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 17.573 | 17.573 | 1.440 |
High resolution limit [Å] | 1.370 | 4.330 | 1.370 |
Rmerge | 0.028 | 1.103 | |
Rmeas | 0.070 | 0.030 | 1.187 |
Rpim | 0.026 | 0.011 | 0.436 |
Number of reflections | 249985 | 8252 | 36241 |
<I/σ(I)> | 15.2 | 53.1 | 1.6 |
Completeness [%] | 100.0 | 98.5 | 100 |
Redundancy | 7.4 | 7.1 | 7.4 |
CC(1/2) | 0.999 | 0.999 | 0.632 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 1 part protein solution (20.0 mg/mL in 20 mM Tris-HCl, pH 7.9, 200 mM sodium chloride, 1.5 mM FAD, 3 mM mesaconyl-CoA) + 1 part buffer (0.1 M Tris-HCl, pH 8.0, 30% w/v PEG5000 MME, 200 mM lithium sulfate) |