7BFZ
X-ray structure of human prostate-specific membrane antigen(PSMA) in complex with a inhibitor Glu-490
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 | PIXEL |
Collection date | 2020-03-01 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 101.540, 130.103, 158.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.960 - 1.730 |
R-factor | 0.1636 |
Rwork | 0.163 |
R-free | 0.18330 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3bi1 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.712 |
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] | 50.000 | 1.830 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 109170 | 17360 |
<I/σ(I)> | 14.43 | 1.99 |
Completeness [%] | 99.6 | 98.9 |
Redundancy | 4.5 | 4.2 |
CC(1/2) | 0.999 | 0.869 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 34% (v/v) pentaerythritol propoxylate PO/OH 5/4 1 % (w/v) PEG 3350 100 mM Tris-HCl, pH 8.0 |