1W2D
Human Inositol (1,4,5)-trisphosphate 3-kinase complexed with Mn2+/ADP/Ins(1,3,4,5)P4
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 | 2003-11-15 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.054, 97.411, 190.844 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.800 - 1.940 |
R-factor | 0.228 |
Rwork | 0.226 |
R-free | 0.26700 |
Structure solution method | OTHER |
RMSD bond length | 0.019 |
RMSD bond angle | 1.751 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.510 | 2.040 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.052 | 0.210 |
Number of reflections | 48642 | |
<I/σ(I)> | 8.5537 | 3.6 |
Completeness [%] | 97.2 | 98.2 |
Redundancy | 6.83 | 6.32 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.82 M NA CITRATE, 0.1 M NACL, 0.1 M TRIS PH 8. |