3BHX
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of Asp-Glu
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.976 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.554, 130.258, 159.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.600 |
| R-factor | 0.18079 |
| Rwork | 0.181 |
| R-free | 0.20154 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2oot |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.878 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.4.0057) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.042 | 0.290 |
| Number of reflections | 135043 | |
| <I/σ(I)> | 20.7 | 4.3 |
| Completeness [%] | 97.9 | 95.6 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 33% (v/v) pentaerythritol propoxylate PO/OH 5/4, 1% (w/v) PEG 3350, 100 mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
