3NKA
Crystal structure of AqpZ H174G,T183F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2006-10-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 4 |
| Unit cell lengths | 92.784, 92.784, 78.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9f |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.729 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.21) |
| Phasing software | PHASER (1.3.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 92.848 | 20.064 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Rmerge | 0.063 | 0.020 | 0.645 |
| Total number of observations | 2658 | 9591 | |
| Number of reflections | 21743 | ||
| <I/σ(I)> | 17.4 | 23.7 | 1.2 |
| Completeness [%] | 93.8 | 93.7 | 82.4 |
| Redundancy | 3.4 | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25-30% PEG 2000 100 mM sodium cacodylate 50-100 mM MgCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
