8E0G
Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2014-11-14 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 44.430, 144.000, 209.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.500 - 2.100 |
R-factor | 0.19319 |
Rwork | 0.192 |
R-free | 0.22548 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c1m |
RMSD bond length | 0.018 |
RMSD bond angle | 1.873 |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.500 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.142 | 1.445 |
Number of reflections | 63134 | 4399 |
<I/σ(I)> | 7.51 | |
Completeness [%] | 99.5 | 95 |
Redundancy | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 7.5 | 293 | Reconstituted in 10:1 monoolein:cholesterol mix, precipitant: 15-25% PEG300, 100 mM HEPES, pH 7.0-7.5, 1% 1,2,3-heptanetriol, 0.5-1.0% polypropylene glycol P400, 100-300 mM ammonium phosphate dibasic |