1GM7
Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 300 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.600, 131.800, 63.900 |
Unit cell angles | 90.00, 105.60, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.450 |
Rwork | 0.145 |
R-free | 0.17300 |
Structure solution method | OTHER |
RMSD bond length | 0.019 |
RMSD bond angle | 0.034 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.470 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.061 | 0.339 |
Number of reflections | 144035 | |
<I/σ(I)> | 18.7 | 3.3 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.50 |