2E21
Crystal structure of TilS in a complex with AMPPNP from Aquifex aeolicus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2005-07-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.456, 82.231, 109.431 |
| Unit cell angles | 90.00, 105.85, 90.00 |
Refinement procedure
| Resolution | 49.010 - 2.700 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wy5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.116 | 0.522 |
| Number of reflections | 46266 | |
| <I/σ(I)> | 13.3 | 1.8 |
| Completeness [%] | 1.0 | 93 |
| Redundancy | 4.1 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 0.1M Na citrate, 0.2M Ammonium Acetate, 20% PEG 4000, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
