6BTZ
Crystal structure of the PI3KC2alpha C2 domain in space group C121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.346, 61.546, 90.496 |
| Unit cell angles | 90.00, 92.58, 90.00 |
Refinement procedure
| Resolution | 46.395 - 1.850 |
| R-factor | 0.1881 |
| Rwork | 0.187 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b3r |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.139 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.400 | 46.400 | 1.880 |
| High resolution limit [Å] | 1.850 | 9.040 | 1.850 |
| Rmerge | 0.115 | 0.046 | 0.680 |
| Rmeas | 0.123 | 0.050 | 0.734 |
| Rpim | 0.045 | 0.019 | 0.273 |
| Total number of observations | 368396 | 3082 | 20635 |
| Number of reflections | 49805 | 451 | 2954 |
| <I/σ(I)> | 10.3 | 24.6 | 2.4 |
| Completeness [%] | 99.7 | 98.7 | 96.3 |
| Redundancy | 7.4 | 6.8 | 7 |
| CC(1/2) | 0.998 | 0.998 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | PEG 400, (NH4)2SO4 |
