8ACK
Structure of Pseudomonas aeruginosa aminopeptidase, PaAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.292, 85.661, 98.097 |
| Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
| Resolution | 42.831 - 1.784 |
| R-factor | 0.1731 |
| Rwork | 0.171 |
| R-free | 0.21010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8ac7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.816 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.460 | 64.460 | 1.815 |
| High resolution limit [Å] | 1.784 | 4.843 | 1.784 |
| Rmerge | 0.114 | 0.051 | 2.604 |
| Rmeas | 0.126 | 0.056 | 2.861 |
| Rpim | 0.052 | 0.023 | 1.167 |
| Total number of observations | 566021 | 27331 | 28343 |
| Number of reflections | 98441 | 4928 | 4868 |
| <I/σ(I)> | 5.5 | 13.2 | 0.7 |
| Completeness [%] | 99.1 | 96.7 | 98.7 |
| Redundancy | 5.7 | 5.5 | 5.8 |
| CC(1/2) | 0.997 | 0.998 | 0.362 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M zinc acetate, 0.1 M sodium cacodylate pH6.4, 11.7% 2-propanol |
