3NKC
Crystal structure of AqpZ F43W,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 | 92.892, 92.892, 79.476 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.670 - 3.100 |
| R-factor | 0.1992 |
| Rwork | 0.198 |
| R-free | 0.22190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9f |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.542 |
| 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] | 92.892 | 21.678 | 3.270 |
| High resolution limit [Å] | 3.100 | 9.800 | 3.100 |
| Rmerge | 0.115 | 0.028 | 0.679 |
| Total number of observations | 934 | 4840 | |
| Number of reflections | 10963 | ||
| <I/σ(I)> | 10.6 | 14.8 | 1.1 |
| Completeness [%] | 88.0 | 75.1 | 90.4 |
| Redundancy | 3 | 3 | 3 |
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 |
