3AJE
Crystal structure of S. tokodaii Sua5 complexed with L-threonine and AMPPNP
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 | 2008-05-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 85.350, 121.000, 68.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.970 - 1.800 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eqa |
| RMSD bond length | 0.011 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | 0.567 |
| Number of reflections | 32711 | |
| <I/σ(I)> | 34.4 | 2.5 |
| Completeness [%] | 99.5 | 98 |
| Redundancy | 7.3 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 303 | 0.1M acetate-Na buffer, 4.5M sodium nitrate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 303K |
