3T89
Crystal structure of Escherichia coli MenB, the 1,4-dihydroxy-2-naphthoyl-CoA synthase in vitamin K2 biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.509, 133.997, 153.357 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.884 - 1.949 |
| R-factor | 0.1873 |
| Rwork | 0.186 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h02 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.836 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
| High resolution limit [Å] | 1.949 | 5.290 | 1.950 |
| Rmerge | 0.101 | 0.065 | 0.537 |
| Number of reflections | 113570 | ||
| <I/σ(I)> | 8.6 | ||
| Completeness [%] | 98.2 | 99.5 | 95.8 |
| Redundancy | 6.8 | 6.9 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20% PEG3350, 200 mM sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
