3HWW
Crystal structure of menaquinone synthesis protein MenD from E. coli in complex with oxoglutarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 117.910, 117.910, 175.276 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.320 - 1.950 |
R-factor | 0.21104 |
Rwork | 0.209 |
R-free | 0.25453 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jlc |
RMSD bond length | 0.020 |
RMSD bond angle | 1.973 |
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 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.080 | 0.180 |
Number of reflections | 80890 | |
<I/σ(I)> | 18.2 | 1.85 |
Completeness [%] | 94.2 | 84.9 |
Redundancy | 8 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.5-0.6M tri-Na citrate, 1mM oxoglutarate, 5mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |