3JTB
Cu(II) N47S/F114N variant of Pseudomonas Aeruginosa Azurin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.740, 63.790, 85.150 |
| Unit cell angles | 90.00, 91.12, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.2267 |
| Rwork | 0.226 |
| R-free | 0.25910 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 4azu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.823 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 |
| High resolution limit [Å] | 1.800 |
| Rmerge | 0.077 |
| Number of reflections | 40118 |
| <I/σ(I)> | 36.8 |
| Completeness [%] | 87.3 |
| Redundancy | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 80mM sodium acetate, 0.24M calcium chloride, 0.24M lithium nitrate, 25% PEG 8000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
