4A9C
Crystal structure of human SHIP2 in complex with biphenyl 2,3',4,5',6- pentakisphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.246, 61.520, 114.742 |
| Unit cell angles | 90.00, 91.94, 90.00 |
Refinement procedure
| Resolution | 29.410 - 2.100 |
| R-factor | 0.2019 |
| Rwork | 0.201 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nr8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.220 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.070 | 0.610 |
| Number of reflections | 36559 | |
| <I/σ(I)> | 8.6 | 1.2 |
| Completeness [%] | 99.0 | 98.4 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.8 | 1.5 MM BIPHENYL 2,3,4,5, 6-PENTAKISPHOSPHATE, 2 MM MGSO4, 11% PEG 6000, 0.1 M CITRIC ACID PH 4.8 |
