5NCZ
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 | PIXEL |
| Collection date | 2013-10-25 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.650, 64.840, 116.600 |
| Unit cell angles | 90.00, 103.63, 90.00 |
Refinement procedure
| Resolution | 42.970 - 1.940 |
| R-factor | 0.227 |
| Rwork | 0.225 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Internal start model |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.990 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.970 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.042 | 0.258 |
| Number of reflections | 73956 | 7091 |
| <I/σ(I)> | 15.9 | 2.5 |
| Completeness [%] | 97.0 | 95.6 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 30% EDO_P8K, 100mM Morpheus buffer 2 pH 7.5, 10% Morpheus Carboxylic acids |
