2D1S
Crystal structure of the thermostable Japanese Firefly Luciferase complexed with High-energy intermediate analogue
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 | IMAGE PLATE |
Collection date | 2002-04-08 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.02 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.586, 181.313, 52.038 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.000 - 1.300 |
R-factor | 0.18115 |
Rwork | 0.180 |
R-free | 0.20080 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2d1q |
RMSD bond length | 0.009 |
RMSD bond angle | 1.371 |
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] | 60.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.054 | 0.209 |
Number of reflections | 133611 | |
<I/σ(I)> | 9 | 2.6 |
Completeness [%] | 99.2 | 95.8 |
Redundancy | 4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.8 | 293 | PEG4000, Lithium chrolide, Magnesium chloride, HEPES, 5'-O-[N-(dehydroluciferyl)-sulfamoyl] adenosine, pH 7.8, VAPOR DIFFUSION, temperature 293K |