2XAL
Lead derivative of Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.063, 110.971, 138.694 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.710 - 3.200 |
| R-factor | 0.21335 |
| Rwork | 0.210 |
| R-free | 0.26835 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.462 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 138.690 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.150 | 0.410 |
| Number of reflections | 15450 | |
| <I/σ(I)> | 4.34 | 1.66 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.68 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.9 | 22% PEG 3350, 100 MM BIS-TRIS PH 5.9, SOAKING IN 100 MM LEAD ACETATE. PROTEIN WAS MIXED WITH 2 MM ADP AND 2 MM INOSITOL-6-P |
