3T88
Crystal structure of Escherichia coli MenB in complex with substrate analogue, OSB-NCoA
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 2 |
| Unit cell lengths | 140.493, 141.791, 89.122 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.797 - 1.998 |
| R-factor | 0.1573 |
| Rwork | 0.155 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h02 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.206 |
| 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 | 2.030 |
| High resolution limit [Å] | 1.998 | 5.430 | 2.000 |
| Rmerge | 0.163 | 0.098 | 0.674 |
| Number of reflections | 120517 | ||
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 99.8 | 100 | 99.1 |
| Redundancy | 6.9 | 7.1 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 25% PEG3350, 200 mM sodium chloride, 100 mM Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
