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 |