4JKN
Mercury Metallated Pseudomonas aeruginosa Azurin at 1.54 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-11 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.483, 79.228, 109.576 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.660 - 1.536 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e67 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.465 |
| Data reduction software | SAINT |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.240 | 1.740 |
| High resolution limit [Å] | 1.536 | 1.536 |
| Number of reflections | 73480 | |
| Completeness [%] | 98.0 | 90.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 298 | 3.2 M ammonium sulfate, 0.5 M lithium nitrate, 50 mM sodium acetate, pH 5.5, soaked with 3 fold excess Mercury Chloride , VAPOR DIFFUSION, SITTING DROP, temperature 298K |
