7E4L
Conversion of pyrophosphate-dependent myo-inositol-1 kinase into myo-inositol-3 kinase by N78L/S89L mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2019-11-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.205, 46.398, 66.544 |
| Unit cell angles | 83.53, 80.43, 68.57 |
Refinement procedure
| Resolution | 42.650 - 1.600 |
| R-factor | 0.19301 |
| Rwork | 0.192 |
| R-free | 0.21555 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5ysp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.304 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmeas | 0.051 | 0.134 |
| Number of reflections | 43707 | 4684 |
| <I/σ(I)> | 19.8 | 9.1 |
| Completeness [%] | 62.5 | 94.6 |
| Redundancy | 3.4 | 3.58 |
| CC(1/2) | 0.997 | 0.985 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 26% (w/v) poly(ethylene glycol) 4000, 2mM ammonium sulfate, 100mM sodium acetate buffer (pH 5.4) |
