2XAR
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with IP6.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 120 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.670, 112.501, 139.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 112.500 - 3.100 |
R-factor | 0.24103 |
Rwork | 0.238 |
R-free | 0.29888 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xam |
RMSD bond length | 0.008 |
RMSD bond angle | 1.190 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 112.500 | 3.270 |
High resolution limit [Å] | 2.600 | 3.100 |
Rmerge | 0.120 | 0.440 |
Number of reflections | 17187 | |
<I/σ(I)> | 5.76 | 1.78 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.63 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.9 | 22% PEG 3350, 100 MM BIS-TRIS PH 5.9 2MM MGCL2. PROTEIN WAS MIXED WITH 2 MM INOSITOL-6-P |