2D1T
Crystal structure of the thermostable Japanese Firefly Luciferase red-color emission S286N mutant complexed with High-energy intermediate analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2002-03-15 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.468, 181.174, 52.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.450 |
R-factor | 0.16527 |
Rwork | 0.164 |
R-free | 0.18195 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2d1s |
RMSD bond length | 0.010 |
RMSD bond angle | 1.381 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 94838 | |
<I/σ(I)> | 6 | 1.9 |
Completeness [%] | 97.6 | 95 |
Redundancy | 6.9 | 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 |