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 |