3UGE
Silver Metallated Pseudomonas aeruginosa Azurin at 1.70 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER IMUS MICROFOCUS |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-29 |
Detector | APEX II CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.746, 97.815, 110.029 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.350 - 1.700 |
R-factor | 0.20556 |
Rwork | 0.203 |
R-free | 0.24459 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e67 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.431 |
Data reduction software | SAINT |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.680 | 1.730 |
High resolution limit [Å] | 1.650 | 1.700 |
Number of reflections | 64144 | |
<I/σ(I)> | 10.97 | 2.04 |
Completeness [%] | 99.2 | 100 |
Redundancy | 7.35 | 4.33 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 3.2 M ammonium sulfate, 0.5 M lithium nitrate, 50 mM sodium acetate, pH 5.5, soaked with 1 mM silver nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |