3W4S
Myo-inositol kinase from Thermococcus kodakarensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.6 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.306, 78.338, 83.875 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.940 - 1.780 |
| R-factor | 0.19556 |
| Rwork | 0.193 |
| R-free | 0.24015 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.297 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.074 | 0.302 |
| Number of reflections | 50297 | |
| <I/σ(I)> | 38.8 | 13.4 |
| Completeness [%] | 99.9 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 18-23%(w/v) PEG3350, 0.2M NH4I, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
