4AQK
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP and IP6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.110, 65.660, 121.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.900 - 2.400 |
| R-factor | 0.2463 |
| Rwork | 0.244 |
| R-free | 0.29215 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xan |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.133 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.110 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.140 | 0.510 |
| Number of reflections | 20463 | |
| <I/σ(I)> | 9.6 | 3.1 |
| Completeness [%] | 96.4 | 91 |
| Redundancy | 5.5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.9 | 22% PEG 3350, BIS-TRIS PH 5.9 |
