4LV7
Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase E82C/S142C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2012-12-04 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 |
Unit cell lengths | 59.763, 59.353, 82.232 |
Unit cell angles | 83.01, 89.92, 63.41 |
Refinement procedure
Resolution | 34.548 - 2.600 |
R-factor | 0.2287 |
Rwork | 0.224 |
R-free | 0.29430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xam |
RMSD bond length | 0.022 |
RMSD bond angle | 1.320 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | PHENIX (1.6.3_473) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.100 | 0.044 | 0.315 |
Number of reflections | 32955 | ||
<I/σ(I)> | 7 | ||
Completeness [%] | 95.2 | 98.9 | 69.4 |
Redundancy | 3.9 | 3.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 0.08M MES, 19.85% PEG3000, 0.17M NaCl, 2.35% benzamidine HCl, Protein: 5mg/mL, pH 6.5, VAPOR DIFFUSION, temperature 293K |