3NK5
Crystal structure of AqpZ mutant F43W
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 | 92.424, 92.424, 78.819 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.400 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 209F |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.712 |
| Data reduction software | ELVES |
| 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] | 92.450 | 19.992 | 2.530 |
| High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
| Rmerge | 0.074 | 0.025 | 0.699 |
| Total number of observations | 3104 | 9589 | |
| Number of reflections | 24848 | ||
| <I/σ(I)> | 15.4 | 20.2 | 1.1 |
| Completeness [%] | 95.4 | 94.3 | 86.6 |
| Redundancy | 3.2 | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25-30% PEG2000,100mM sodium cacodylate, 50-100mM MgCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
