3P4Q
Crystal structure of Menaquinol:oxidoreductase in complex with oxaloacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.641, 137.964, 272.803 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.570 - 3.350 |
| R-factor | 0.221 |
| Rwork | 0.220 |
| R-free | 0.26100 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.868 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.470 |
| High resolution limit [Å] | 3.350 | 7.210 | 3.350 |
| Rmerge | 0.099 | 0.063 | 0.237 |
| Number of reflections | 47456 | ||
| <I/σ(I)> | 10.2 | ||
| Completeness [%] | 88.9 | 95.8 | 73.9 |
| Redundancy | 3.1 | 4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.8 | 298 | 12.5% PEG 5000 mme, 85mM MgAc, 100mM Citrate pH 5.8, 0.1% w/v DTT, 0.1mM EDTA, 5mM fumarate, vapor diffusion, temperature 298K |
