4NGQ
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 |
| Collection date | 2013-08-29 |
| Detector | Mar2300 |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.088, 130.347, 158.784 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.890 - 2.080 |
| R-factor | 0.1693 |
| Rwork | 0.167 |
| R-free | 0.21260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.993 |
| 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] | 46.890 | 2.210 | |
| High resolution limit [Å] | 2.080 | 6.190 | 2.080 |
| Rmerge | 0.067 | 0.028 | 0.323 |
| Rmeas | 0.032 | 0.365 | |
| Number of reflections | 62911 | 2489 | 9983 |
| <I/σ(I)> | 19.23 | 48.15 | 5.18 |
| Completeness [%] | 99.6 | 96.4 | 98.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | Tris-Hcl, PEG, pentaerythritol propoxylate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
