3DZ3
Human AdoMetDC F223A mutant with covalently bound S-Adenosylmethionine methyl ester
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.976, 44.245, 70.832 |
| Unit cell angles | 90.00, 104.52, 90.00 |
Refinement procedure
| Resolution | 43.910 - 2.620 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.28000 |
| Starting model (for MR) | 1I7B.pdb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.710 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.077 | 0.452 |
| Number of reflections | 7624 | |
| <I/σ(I)> | 13.1 | 2 |
| Completeness [%] | 86.2 | 91.2 |
| Redundancy | 2.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 16% PEG 8000, 100 mM Tris, 10 mM DTT, pH 8.0, vapor diffusion, hanging drop, temperature 295K |
