6RBC
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor KB1157
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2018-11-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 101.551, 130.470, 159.045 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 1.770 |
R-factor | 0.1646 |
Rwork | 0.164 |
R-free | 0.19101 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3bi1 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.728 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.083 | 0.827 |
Number of reflections | 102705 | 16397 |
<I/σ(I)> | 14.5 | |
Completeness [%] | 99.9 | |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 32% (v/v) pentaerythritol propoxylate, PO/OH 5/4, 2 % (w/v) PEG 3350, 100 mM Tris-HCl, pH 8.0 |