5BUO
A receptor molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-11 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.96 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 60.410, 103.050, 108.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.640 - 2.310 |
| R-factor | 0.2302 |
| Rwork | 0.230 |
| R-free | 0.24060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3umi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.680 | 2.390 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.074 | 0.759 |
| Number of reflections | 15277 | |
| <I/σ(I)> | 15.4 | 2.2 |
| Completeness [%] | 99.5 | 96.1 |
| Redundancy | 7.3 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG3350, ammonium acetate, bis-tris, zinc, thiocyanate |
