3IN0
Crystal structure of the F114P/M121Q variant of Pseudomonas aeruginosa azurin in the Cu(II) state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1000 |
Spacegroup name | P 1 |
Unit cell lengths | 44.260, 49.590, 60.510 |
Unit cell angles | 100.39, 103.42, 104.31 |
Refinement procedure
Resolution | 10.000 - 2.350 |
R-factor | 0.2482 |
Rwork | 0.246 |
R-free | 0.28580 |
Structure solution method | AB INITIO |
RMSD bond length | 0.006 |
RMSD bond angle | 1.662 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.065 | |
Number of reflections | 29479 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | PEG 8000, 0.08M NaOAc, 0.2M Lithium nitrate, 0.2M Calcium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |