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 |