4L2Y
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.940, 136.971, 150.484 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.300 - 2.800 |
R-factor | 0.2182 |
Rwork | 0.215 |
R-free | 0.27050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hhm |
RMSD bond length | 0.005 |
RMSD bond angle | 0.961 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.082 | 0.434 |
Number of reflections | 35633 | |
<I/σ(I)> | 38.6 | 5.5 |
Completeness [%] | 96.3 | 98.4 |
Redundancy | 4.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.15 M Lithium sulfate, 0.1 M Tris PH 8.5, 30%(W/V) PEG 1000MME, vapor diffusion, hanging drop, temperature 291K |