6ETY
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU3371
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9796 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 101.646, 130.720, 158.234 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.680 |
R-factor | 0.15557 |
Rwork | 0.155 |
R-free | 0.17770 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3bi1 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.637 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.780 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.062 | 0.693 |
Rmeas | 0.069 | 0.775 |
Number of reflections | 118798 | 18462 |
<I/σ(I)> | 14.72 | 2.08 |
Completeness [%] | 98.9 | 96.1 |
Redundancy | 5.13 | 4.95 |
CC(1/2) | 0.999 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 33% (v/v) pentaerythritol propoxylate PO/OH 5/4, 0.5 % (w/v) PEG 3350, and 100 mM Tris-HCl, pH 8.0 |