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 |