6H7Y
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1
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 | 2018-03-08 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 102.258, 131.376, 159.874 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.260 - 1.810 |
R-factor | 0.15045 |
Rwork | 0.150 |
R-free | 0.17756 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3bi1 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.802 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.073 | 0.849 |
Rmeas | 0.079 | 0.930 |
Number of reflections | 96547 | 14624 |
<I/σ(I)> | 16.17 | 1.94 |
Completeness [%] | 98.8 | 93.4 |
Redundancy | 6.7 | 6 |
CC(1/2) | 0.999 | 0.871 |
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 |