2D1R
Crystal structure of the thermostable Japanese firefly Luciferase complexed with OXYLUCIFERIN and AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2001-03-29 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.02 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.612, 181.402, 52.743 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.000 - 1.600 |
| R-factor | 0.1854 |
| Rwork | 0.184 |
| R-free | 0.21039 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2d1q |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.333 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.054 | 0.210 |
| Number of reflections | 73719 | |
| <I/σ(I)> | 10.1 | 3 |
| Completeness [%] | 99.7 | 97.4 |
| Redundancy | 6.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | PEG4000, Lithium chrolide, Magnesium chloride, ATP, D-Luciferin, Teis-HCl, pH 8.0, VAPOR DIFFUSION, temperature 293K |
