4P45
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-73
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-11 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 101.436, 130.310, 158.752 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.180 - 1.870 |
R-factor | 0.16377 |
Rwork | 0.162 |
R-free | 0.19259 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.019 |
RMSD bond angle | 1.574 |
Data reduction software | DENZO |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.088 | |
Number of reflections | 86865 | |
<I/σ(I)> | 18.1 | 3.5 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 5.9 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 288 | 34% (v/v) pentaerythritol propoxylate PO/OH 5/4, 2 % (w/v) PEG 3350, and 100 mM Tris-HCl, pH 8.0 |