9IZT
Crystal structure of a PU hydrolysis enzyme Aes72 from Comamonas acidovorans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-10 |
| Detector | RIGAKU HyPix-Arc 150 |
| Wavelength(s) | 1.54056 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 77.161, 71.121, 101.579 |
| Unit cell angles | 90.00, 104.11, 90.00 |
Refinement procedure
| Resolution | 29.640 - 1.800 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.699 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 48962 | 4785 |
| <I/σ(I)> | 11.19 | 1.6 |
| Completeness [%] | 99.0 | |
| Redundancy | 7.6 | |
| CC(1/2) | 0.995 | 0.698 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 0.2 M Ammonium Acetate, 0.1 M tri-sodium Citrate dihydrate, 30% PEG4000 |
