2P61
Crystal structure of protein TM1646 from Thermotoga maritima, Pfam DUF327
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 28.699, 78.874, 102.432 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.257 |
| Rwork | 0.255 |
| R-free | 0.28800 |
| Structure solution method | SAD |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.445 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.640 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.094 | 0.558 |
| Total number of observations | 5751 | |
| Number of reflections | 6874 | |
| <I/σ(I)> | 16.3 | 2.3 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 5.6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 100mM Tris-HCl pH 7.0, 16% Ethanol, VAPOR DIFFUSION, temperature 294K |
