6F5L
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU2379
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 | 101.099, 130.270, 158.584 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.630 |
R-factor | 0.15494 |
Rwork | 0.154 |
R-free | 0.17386 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3bi1 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.754 |
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 | 1.730 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.059 | 0.906 |
Rmeas | 0.065 | 1.002 |
Number of reflections | 128331 | 20423 |
<I/σ(I)> | 16.13 | 2.11 |
Completeness [%] | 98.7 | 98.2 |
Redundancy | 5.22 | 5.28 |
CC(1/2) | 0.999 | 0.865 |
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 |