7RT9
Crystal structures of human PYY and NPY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.980, 103.300, 138.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.110 - 1.900 |
| R-factor | 0.1809 |
| Rwork | 0.179 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | generic Fab |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.657 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.110 | 42.110 | 1.930 |
| High resolution limit [Å] | 1.900 | 10.230 | 1.900 |
| Rmerge | 0.120 | 0.040 | 0.500 |
| Rmeas | 0.130 | 0.044 | 0.548 |
| Rpim | 0.050 | 0.016 | 0.218 |
| Total number of observations | 571023 | 4184 | 24938 |
| Number of reflections | 87134 | 653 | 4337 |
| <I/σ(I)> | 8.8 | 17 | 2.2 |
| Completeness [%] | 99.6 | 98.3 | 98.3 |
| Redundancy | 6.6 | 6.4 | 5.8 |
| CC(1/2) | 0.996 | 0.999 | 0.862 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.65 | 293 | Fab-PYY (~5.5 mg/mL with respect to Fab, 2.4:1 molar ratio of PYY:Fab, in 25 mM Tris (pH 7.5), 100 mM NaCl) was mixed with an equal volume (2 uL) of well solution comprising 200 mM citrate (pH 6.65) and 13% (w/v) PEG1500. |
