2E89
Crystal structure of Aquifex aeolicus TilS in a complex with ATP, Magnesium ion, and L-lysine
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 | 2006-11-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 97.420, 81.570, 109.110 |
| Unit cell angles | 90.00, 105.98, 90.00 |
Refinement procedure
| Resolution | 44.030 - 2.500 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e21 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.700 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.089 | 0.221 |
| Number of reflections | 52465 | |
| <I/σ(I)> | 12.3 | 2.3 |
| Completeness [%] | 91.8 | 78 |
| Redundancy | 2.6 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 0.1M Na citrate, 0.2M Ammonium Acetate, 20% PEG4 000 , pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
