5HK2
Human sigma-1 receptor bound to 4-IBP
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 | 2014-10-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.700, 126.800, 110.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.604 - 3.200 |
R-factor | 0.2225 |
Rwork | 0.218 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hk1 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.613 |
Data reduction software | HKL-2000 |
Data scaling software | XSCALE |
Phasing software | SHARP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.300 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.194 | 0.897 |
Number of reflections | 19968 | |
<I/σ(I)> | 5.8 | 1.9 |
Completeness [%] | 97.1 | 97.8 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.5 | 293 | Reconstituted in 10:1 monoolein: cholesterol mix. Precipitant solution: 30-40% PEG 300, 220-250 mM lithium sulfide, 0.1 M MES pH 6.5 |