3IWC
T. maritima AdoMetDC complex with S-Adenosylmethionine methyl ester
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 | 2007-03-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | H 3 |
Unit cell lengths | 105.204, 105.204, 70.062 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.700 - 1.900 |
R-factor | 0.212 |
Rwork | 0.212 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tlu |
RMSD bond length | 0.031 |
RMSD bond angle | 1.500 |
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 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.096 | 0.216 |
Number of reflections | 22259 | |
<I/σ(I)> | 11.2 | 3.1 |
Completeness [%] | 98.9 | 90.4 |
Redundancy | 4.1 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 2.8 M ammonium formate, 100 mM HEPES, pH 8.0, vapor diffusion, hanging drop, temperature 298K |