5D29
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241
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 |
Collection date | 2013-04-11 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 100.191, 130.459, 157.196 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.820 - 1.800 |
R-factor | 0.1758 |
Rwork | 0.174 |
R-free | 0.20490 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.020 |
RMSD bond angle | 1.739 |
Data reduction software | DENZO |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.062 | 0.683 |
Number of reflections | 95135 | |
<I/σ(I)> | 20.24 | 2.72 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 5.83 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 288 | 34% (v/v) pentaerythritol propoxylate PO/OH 5/4, 2 % (w/v) PEG 3350, and 100 mM Tris-HCl, pH 8.0 |