4NGR
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | Mar2300 |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.104, 130.048, 158.454 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.810 - 1.900 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.21610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.000 |
| 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] | 46.810 | 2.020 | |
| High resolution limit [Å] | 1.900 | 5.660 | 1.900 |
| Rmerge | 0.084 | 0.023 | 0.623 |
| Rmeas | 0.026 | 0.712 | |
| Number of reflections | 81583 | 3233 | 12669 |
| <I/σ(I)> | 15.63 | 51.68 | 2.64 |
| Completeness [%] | 99.3 | 97.8 | 96.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | Tris-HCl, PEG 3350, pentaerythritol propoxylate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
