4MS3
Crystal structure of the extracellular domain of human GABA(B) receptor bound to the endogenous agonist GABA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 115.480, 141.690, 59.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.650 - 2.500 |
R-factor | 0.2096 |
Rwork | 0.208 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mqe |
RMSD bond length | 0.009 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.388 | 60.388 | 2.640 |
High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
Rmerge | 0.096 | 0.027 | 0.661 |
Total number of observations | 3862 | 18188 | |
Number of reflections | 33921 | ||
<I/σ(I)> | 11.4 | 22.1 | 1.1 |
Completeness [%] | 99.1 | 92.1 | 99.9 |
Redundancy | 3.7 | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 18% PEG2000, 5% glycerol, 0.15 M ammonium chloride, 0.1 M sodium cacodylate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |