6GFH
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-01-31 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9173 |
Spacegroup name | P 1 |
Unit cell lengths | 59.632, 60.563, 84.482 |
Unit cell angles | 87.81, 88.43, 63.01 |
Refinement procedure
Resolution | 29.335 - 2.650 |
R-factor | 0.2031 |
Rwork | 0.199 |
R-free | 0.26810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xam |
RMSD bond length | 0.009 |
RMSD bond angle | 1.176 |
Data scaling software | Aimless (0.5.32) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.340 | 29.340 | 2.780 |
High resolution limit [Å] | 2.650 | 8.790 | 2.650 |
Rmerge | 0.127 | 0.066 | 0.705 |
Rmeas | 0.169 | 0.085 | 0.945 |
Rpim | 0.110 | 0.052 | 0.625 |
Number of reflections | 27766 | 802 | 3658 |
<I/σ(I)> | 3.5 | ||
Completeness [%] | 90.8 | 95.8 | 89.9 |
Redundancy | 2.1 | 2.2 | 2.1 |
CC(1/2) | 0.980 | 0.989 | 0.348 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 18 % PEG 3350, 0.1 M bis-tris propane pH 6.5, 2 mM MgCl2, 25% EG or 35% PEG 3350, 0.1 M bis-tris propane pH 6.5, 2 mM MgCl2 |