3FED
The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with a transition state analog of Glu-Glu
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.731, 104.086, 77.634 |
| Unit cell angles | 90.00, 108.19, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.290 |
| R-factor | 0.13104 |
| Rwork | 0.131 |
| R-free | 0.14727 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2or4 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.830 |
| 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 | 1.340 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.092 | 0.469 |
| Number of reflections | 227958 | |
| <I/σ(I)> | 1.9 | |
| Completeness [%] | 97.8 | 79.8 |
| Redundancy | 6.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES-Na, 10% (w/v) PEG6000, 5% (v/v) MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
