1TMI
Structure of Thermotoga maritima S63A non-processing mutant S-adenosylmethionine decarboxylase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 8-BM |
| Synchrotron site | APS |
| Beamline | 8-BM |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2003-08-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792,0.9793,0.9641 |
| Spacegroup name | H 3 |
| Unit cell lengths | 104.968, 104.968, 69.523 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.470 - 1.700 |
| R-factor | 0.146 |
| Rwork | 0.146 |
| R-free | 0.18200 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.500 | 1.810 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 30984 | |
| <I/σ(I)> | 30.7 | 4.7 |
| Completeness [%] | 98.7 | 100 |
| Redundancy | 5.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295.4 | ammonium formate, HEPES, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295.4K |
