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 |