4NGN
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.343, 130.020, 158.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.250 - 1.640 |
| Rwork | 0.185 |
| R-free | 0.21314 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.959 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.250 | 1.740 | |
| High resolution limit [Å] | 1.640 | 4.890 | 1.640 |
| Rmerge | 0.044 | 0.020 | 0.482 |
| Rmeas | 0.023 | 0.546 | |
| Number of reflections | 127797 | 5055 | 20344 |
| <I/σ(I)> | 20.6 | 58.59 | 3.33 |
| Completeness [%] | 99.8 | 99.1 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 8 | 289 | Tris-HCl, PEG 3350, pentaerythritol propoxylate, pH 8.0, hanging drop, temperature 289K |
