4NGP
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 | 102.073, 130.414, 160.348 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.350 - 1.630 |
R-factor | 0.17933 |
Rwork | 0.178 |
R-free | 0.20497 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.973 |
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] | 47.350 | 1.730 | |
High resolution limit [Å] | 1.630 | 4.880 | 1.630 |
Rmerge | 0.056 | 0.025 | 0.633 |
Number of reflections | 129485 | ||
<I/σ(I)> | 14.12 | 38.8 | 1.93 |
Completeness [%] | 98.3 | 96.3 | 93.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | Tris-HCl, PEG 3350, pentaerythritol propoxylate, pH 8.0, temperature 289K, VAPOR DIFFUSION, HANGING DROP |