4AXE
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP
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 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 100.620, 71.920, 63.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.490 - 2.500 |
R-factor | 0.22656 |
Rwork | 0.224 |
R-free | 0.28624 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xan |
RMSD bond length | 0.005 |
RMSD bond angle | 1.045 |
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] | 39.490 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.100 | 0.410 |
Number of reflections | 16575 | |
<I/σ(I)> | 10.1 | 3.6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.6 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 0.5 M NH4SO2, 0.1 M NA CITRATE TRIBASIC DIHYDRATE, PH 5.6, AND 0.8 M LISO4 |