5NCY
mPI3Kd IN COMPLEX WITH inh1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 140.989, 64.549, 116.013 |
| Unit cell angles | 90.00, 103.59, 90.00 |
Refinement procedure
| Resolution | 49.860 - 1.900 |
| R-factor | 0.224 |
| Rwork | 0.222 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Internal Model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 77199 | 7062 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 96.7 | 90.8 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | Condition A1 |
