6GFG
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with D-chiro-IP6 and ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 59.566, 60.820, 82.439 |
Unit cell angles | 89.50, 88.34, 62.54 |
Refinement procedure
Resolution | 29.017 - 3.000 |
R-factor | 0.2004 |
Rwork | 0.197 |
R-free | 0.26530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xam |
RMSD bond length | 0.010 |
RMSD bond angle | 1.259 |
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] | 29.020 | 29.020 | 3.180 |
High resolution limit [Å] | 3.000 | 9.000 | 3.000 |
Rmerge | 0.149 | 0.042 | 0.569 |
Rmeas | 0.199 | 0.056 | 0.761 |
Rpim | 0.131 | 0.036 | 0.501 |
Total number of observations | 45894 | ||
Number of reflections | 19896 | 736 | 3147 |
<I/σ(I)> | 7.1 | ||
Completeness [%] | 96.7 | 96 | 94 |
Redundancy | 2.3 | 2.4 | 2.1 |
CC(1/2) | 0.953 | 0.987 | 0.492 |
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 |