4PEM
Crystal Structure of S1G mutant of Penicillin G Acylase from Kluyvera citrophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.956 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.000, 124.561, 135.139 |
| Unit cell angles | 104.05, 101.37, 96.51 |
Refinement procedure
| Resolution | 38.000 - 2.500 |
| R-factor | 0.25043 |
| Rwork | 0.248 |
| R-free | 0.29182 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e3a |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.221 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.600 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.095 | 0.550 |
| Number of reflections | 87317 | |
| <I/σ(I)> | 6.1 | 1.2 |
| Completeness [%] | 76.5 | 80.6 |
| Redundancy | 1.7 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30%(w/v) PEG 4000, 50 mM sodium cacodylate pH 5.6 0.5 M potassium thiocyanate |
