4IA4
Structure of the spinach aquaporin SoPIP2;1 at pH 6
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 | 2010-02-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9395 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 178.227, 104.190, 66.523 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.110 - 3.100 |
| R-factor | 0.23733 |
| Rwork | 0.237 |
| R-free | 0.24281 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z98 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.584 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.260 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.099 | 0.667 |
| Number of reflections | 22668 | |
| <I/σ(I)> | 11.1 | 1.6 |
| Completeness [%] | 98.2 | 99.6 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 278 | 22% PEG400, 0.1M NaCitrate, 0.05M NaCl, 0.02M MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
