6H7Z
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-21 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.34 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 101.222, 130.389, 158.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.17201 |
Rwork | 0.170 |
R-free | 0.20594 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3bi1 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.790 |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.800 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.176 | 0.884 |
Number of reflections | 70883 | 4537 |
<I/σ(I)> | 11.9 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.2 | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 34% (v/v) pentaerythritol propoxylate PO/OH 5/4, 2 % (w/v) PEG 3350, 100 mM Tris-HCl, pH 8.0 |