2XAN
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with AMP PNP and IP5
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 | 57.418, 113.429, 140.472 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 140.030 - 2.200 |
| R-factor | 0.22693 |
| Rwork | 0.224 |
| R-free | 0.27739 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xam |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.095 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.250 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 0.460 |
| Number of reflections | 47247 | |
| <I/σ(I)> | 6.1 | 1.6 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 7.6 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.9 | 22% PEG 3350, 100 MM BIS-TRIS, PH 5.9 PROTEIN WAS MIXED WITH 2 MM AMP PNP AND 2 MM INOSITOL-5-P |
