6FE5
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU 2249
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 | 101.702, 130.687, 159.829 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.520 |
R-factor | 0.15866 |
Rwork | 0.158 |
R-free | 0.17900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3BI1.pdb |
RMSD bond length | 0.018 |
RMSD bond angle | 1.793 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.620 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.048 | 0.551 |
Rmeas | 0.053 | 0.619 |
Number of reflections | 161939 | 25398 |
<I/σ(I)> | 15.89 | 2.23 |
Completeness [%] | 99.4 | 97.3 |
Redundancy | 5.09 | 4.83 |
CC(1/2) | 0.999 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 33 % (v/v) pentaerythritol propoxylate PO/OH 5/4 2 % (w/v) PEG 3350 100 mM Tris-HCl, pH 8.0 |