3CBM
SET7/9-ER-AdoMet complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Detector technology | CCD |
| Collection date | 2006-04-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 102.338, 38.902, 66.812 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.590 - 1.690 |
| Rwork | 0.196 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o9s |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.590 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.068 | 0.571 |
| Number of reflections | 27719 | |
| <I/σ(I)> | 16.8 | 3.4 |
| Completeness [%] | 90.4 | 83.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 40-42.5% PEG3350, 100 mM Tris, pH 8.0, VAPOR DIFFUSION |
