8JE0
A novel amidohydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 108.050, 108.050, 341.353 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.650 - 2.900 |
| R-factor | 0.2156 |
| Rwork | 0.214 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.614 |
| Data reduction software | HKL-3000 (7.21) |
| Data scaling software | HKL-3000 (7.21) |
| Phasing software | PHASER (2.7.0) |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.179 | 1.435 |
| Number of reflections | 46043 | 4458 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 19.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.15 | 2.8 M Sodium formate, pH 7.0, 0.03 M Potassium bromide, 6% w/v Polyethylene glycol monomethyl ether 2000. |
