3H5R
Crystal structure of E. coli MccB + Succinimide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.934, 137.972, 80.134 |
| Unit cell angles | 90.00, 92.10, 90.00 |
Refinement procedure
| Resolution | 27.950 - 2.100 |
| R-factor | 0.19658 |
| Rwork | 0.194 |
| R-free | 0.24995 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5n |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.518 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.546 |
| Number of reflections | 71440 | |
| <I/σ(I)> | 22.181 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.4 | 4.2 |
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 Succinimidyl peptide, VAPOR DIFFUSION, HANGING DROP, temperature 291.2K |
