5D3X
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) | 0.9788 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.742, 72.179, 81.995 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.961 - 1.690 |
| R-factor | 0.1775 |
| Rwork | 0.176 |
| R-free | 0.21440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d3v |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.444 |
| 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] | 50.000 | 50.000 | 1.720 |
| High resolution limit [Å] | 1.690 | 4.590 | 1.690 |
| Rmerge | 0.068 | 0.038 | 0.392 |
| Rmeas | 0.076 | 0.043 | 0.438 |
| Rpim | 0.033 | 0.019 | 0.192 |
| Total number of observations | 176205 | ||
| Number of reflections | 36150 | ||
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 99.1 | 92.5 | 100 |
| Redundancy | 4.9 | 4.8 | 4.8 |
| CC(1/2) | 0.998 | 0.894 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | HEPES, Jeffamine ED-2001 pH 7 |
