3H9Q
Crystal structure of E. coli MccB + SeMet MccA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.300, 138.597, 81.375 |
| Unit cell angles | 90.00, 92.06, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.630 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.27300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3h9j |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.369 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.720 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.083 | 0.311 |
| Number of reflections | 37055 | |
| <I/σ(I)> | 23.312 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.2 | 24-26% Pentaerythritol ethoxylate (15/4 EO/OH, Hampton Research), 50 mM Bis-Tris pH 6.5, 50 mM (NH4)2SO4, 10 mM SeMet-MccA, VAPOR DIFFUSION, HANGING DROP, temperature 291.2K |
