3H9J
Crystal structure of E. coli MccB + AMPCPP + SeMeT MccA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-12-02 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.841, 138.004, 80.816 |
| Unit cell angles | 90.00, 92.21, 90.00 |
Refinement procedure
| Resolution | 39.970 - 2.300 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.25500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3h9g |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.248 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.081 | 0.364 |
| Number of reflections | 54611 | |
| <I/σ(I)> | 17.14 | |
| Completeness [%] | 98.9 | 91.1 |
| Redundancy | 4.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.2 | 24-26% Pentaerythritol ethoxylate (15/4 EO/OH, Hampton Research), 50 mM Na Hepes pH 7.5, 100 mM MgSO4, 9 mM AMPCPP, VAPOR DIFFUSION, HANGING DROP, temperature 291.2K |
