4AXD
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with AMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 100.230, 71.800, 63.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.370 - 2.050 |
| R-factor | 0.19683 |
| Rwork | 0.194 |
| R-free | 0.24568 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xan |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.675 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.370 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.100 | 0.400 |
| Number of reflections | 29280 | |
| <I/σ(I)> | 15 | 4.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 0.5 M AMMONIUM SULFATE, 0.1 M SODIUM CITRATE TRIBASIC DIHYDRATE PH 5.6, 0.8 M LISO4 |
