3H0V
Human AdoMetDC with 5'-Deoxy-5'-(dimethylsulfonio) adenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 8-BM |
Synchrotron site | APS |
Beamline | 8-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.852, 49.535, 69.998 |
Unit cell angles | 90.00, 105.03, 90.00 |
Refinement procedure
Resolution | 19.980 - 2.240 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i7b |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.320 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.105 | 0.317 |
Number of reflections | 13927 | |
<I/σ(I)> | 8.947 | 4.26 |
Completeness [%] | 95.1 | 99.4 |
Redundancy | 3.9 | 4 |
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 |