1WWI
Crystal structure of ttk003001566 from Thermus Thermophilus HB8
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9793, 0.9795, 0.9686 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 31.448, 107.406, 89.722 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.180 - 1.580 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.19600 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| 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] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Number of reflections | 21115 | |
| <I/σ(I)> | 18.3 | 7.3 |
| Completeness [%] | 98.3 | 96.6 |
| Redundancy | 4.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | PEG6000, Lithium Nitrate, MES, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
