3HWX
Crystal structure of menaquinone synthesis protein MenD from E. coli in complex with ThDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-13 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.353, 90.463, 169.170 |
| Unit cell angles | 75.99, 83.00, 64.15 |
Refinement procedure
| Resolution | 47.690 - 2.600 |
| R-factor | 0.19946 |
| Rwork | 0.197 |
| R-free | 0.25271 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jlc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.764 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.150 | 0.150 |
| Number of reflections | 114098 | |
| <I/σ(I)> | 6.22 | 1.8 |
| Completeness [%] | 83.5 | 48.1 |
| Redundancy | 2.4 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 12% PEG 8K, 10% glycerol, 1mM ThDP, 5mM MgCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
