4MQF
Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist 2-hydroxysaclofen
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 | 2011-08-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.280, 112.630, 73.220 |
Unit cell angles | 90.00, 97.79, 90.00 |
Refinement procedure
Resolution | 32.500 - 2.220 |
R-factor | 0.2082 |
Rwork | 0.207 |
R-free | 0.23380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mqe |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.260 |
High resolution limit [Å] | 2.220 | 6.020 | 2.220 |
Rmerge | 0.041 | 0.022 | 0.503 |
Number of reflections | 55065 | ||
<I/σ(I)> | 15.5 | ||
Completeness [%] | 98.9 | 97.1 | 86.3 |
Redundancy | 3.7 | 3.6 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 10% PEG3350, 20% glycerol, 0.12 M sodium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |