5D3Y
Crystal Structure of the P-Rex1 PH domain with Inositol-(1,3,4,5)-Tetrakisphosphate Bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2014-03-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97890 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.686, 72.859, 77.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.780 - 1.950 |
| R-factor | 0.21 |
| Rwork | 0.207 |
| R-free | 0.25840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d3v |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.556 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.2) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 5.280 | 1.950 |
| Rmerge | 0.101 | 0.041 | 0.462 |
| Rmeas | 0.116 | 0.047 | 0.536 |
| Rpim | 0.056 | 0.023 | 0.265 |
| Total number of observations | 102248 | ||
| Number of reflections | 25181 | ||
| <I/σ(I)> | 4.9 | ||
| Completeness [%] | 98.9 | 95.2 | 99.9 |
| Redundancy | 4.1 | 3.8 | 4 |
| CC(1/2) | 0.998 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 294 | Bis Tris, polypropylene glycol P400 |
