3LLQ
Aquaporin structure from plant pathogen Agrobacterium Tumerfaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97916 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.500, 102.231, 148.734 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.180 - 2.010 |
| R-factor | 0.18959 |
| Rwork | 0.188 |
| R-free | 0.21859 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rc2 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 1.860 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.083 | 0.386 |
| Number of reflections | 43308 | |
| <I/σ(I)> | 27.4 | 2.9 |
| Completeness [%] | 93.7 | 67.7 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.1 M Tris-HCl, pH 8.5, 35% PEG MME 2000, 1% beta-OG, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
