7REO
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (global hydrolysis Rd3CHis)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 102.385, 102.385, 255.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.020 - 1.812 |
| R-factor | 0.189 |
| Rwork | 0.188 |
| R-free | 0.20530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pem |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.8 (11-DEC-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 255.000 | 1.818 |
| High resolution limit [Å] | 1.812 | 1.812 |
| Number of reflections | 123791 | 1237 |
| <I/σ(I)> | 19.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.3 | |
| CC(1/2) | 0.999 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 25mM PEG 3350, 200mM MgCl2, 100mM Hepes |
