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 |