4UC1
High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.003 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 58.632, 99.544, 95.210 |
Unit cell angles | 90.00, 99.92, 90.00 |
Refinement procedure
Resolution | 43.965 - 1.800 |
R-factor | 0.2023 |
Rwork | 0.201 |
R-free | 0.24670 |
Structure solution method | MIR |
RMSD bond length | 0.010 |
RMSD bond angle | 1.155 |
Data scaling software | XDS |
Phasing software | SHARP (2.8.2) |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.970 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.087 | |
Number of reflections | 97994 | |
<I/σ(I)> | 10.6 | 1 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 7.5 | 293 | 32% PEG 400, 0.05 M NaCl, 0.04 M MgCl2 and 0.1 M HEPES buffer |