2W2E
1.15 Angstrom crystal structure of P.pastoris aquaporin, Aqy1, in a closed conformation at pH 3.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-08 |
| Detector | MARRESEARCH |
| Spacegroup name | I 4 |
| Unit cell lengths | 91.447, 91.447, 80.819 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.150 |
| R-factor | 0.14 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j4n |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.200 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.080 | 0.730 |
| Number of reflections | 111455 | |
| <I/σ(I)> | 9.31 | 2.16 |
| Completeness [%] | 94.7 | 99.1 |
| Redundancy | 4.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.5 | 28% PEG400, 100 MM SODIUM CITRATE PH=3.5, 200 MM LITHIUM SULFATE |
