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 |