3IP3
Structure of putative oxidoreductase (TM_0425) from Thermotoga maritima
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 118.009, 94.181, 142.852 |
| Unit cell angles | 90.00, 91.91, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.140 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.24200 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.295 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.230 |
| High resolution limit [Å] | 2.140 | 4.630 | 2.140 |
| Rmerge | 0.081 | 0.055 | 0.674 |
| Number of reflections | 170354 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 99.7 | 99.3 | 99.3 |
| Redundancy | 5 | 5.1 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M Bis-Tris pH 5.5, 25% PEG 3350, 0.2M NaCl2, Vapor diffusion, Sitting drop, temperature 298K |
