5C5X
CRYSTAL STRUCTURE OF THE S156E MUTANT OF HUMAN AQUAPORIN 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 | 2010-09-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 63 |
Unit cell lengths | 170.750, 170.750, 189.671 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.800 - 2.600 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d9s |
RMSD bond length | 0.007 |
RMSD bond angle | 0.950 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.810 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.180 | 0.778 |
Number of reflections | 94885 | |
<I/σ(I)> | 7 | 2.1 |
Completeness [%] | 98.8 | 99.4 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 281 | RESERVOIR SOLUTION (100MM TRIS-HCL PH7.9, 100MM NACL, 21% PEG400) MIXED WITH EACH OF 1,6-HEXANEDIOL (30%, V/V) AND 1,3-PROPANEDIOL (40%, V/V) AND MIXED WITH THE TEMPERATURE 281K |