8F5K
Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-12-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.425, 64.818, 71.149 |
| Unit cell angles | 90.00, 90.92, 90.00 |
Refinement procedure
| Resolution | 40.280 - 1.250 |
| R-factor | 0.1589 |
| Rwork | 0.158 |
| R-free | 0.17940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fqy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.967 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 117338 | 5678 |
| <I/σ(I)> | 22.9 | 1.6 |
| Completeness [%] | 95.7 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.996 | 0.690 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 22-25 % (w/v) PEG 3350, 0.1 M Hepes, pH 7.0, 0.2 M sodium formate |
