6GY0
mPI3Kd IN COMPLEX WITH AZ3
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 | 2015-03-17 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 140.910, 63.700, 115.870 |
| Unit cell angles | 90.00, 103.61, 90.00 |
Refinement procedure
| Resolution | 42.480 - 2.550 |
| R-factor | 0.25401 |
| Rwork | 0.251 |
| R-free | 0.30705 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Internal Model |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.226 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.481 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.097 | 0.914 |
| Number of reflections | 32656 | 3210 |
| <I/σ(I)> | 9.3 | 1.2 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% EDO_P8K, 100mM Morpheus buffer 2 pH 7.5, 10% Morpheus Carboxylic acids |
