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 |