6NPT
TRK-A IN COMPLEX WITH LIGAND 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 52.084, 52.084, 225.611 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.200 - 2.190 |
R-factor | 0.22743 |
Rwork | 0.223 |
R-free | 0.27646 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.318 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.200 | 2.440 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.038 | 0.434 |
Number of reflections | 18386 | 5012 |
<I/σ(I)> | 21.78 | |
Completeness [%] | 99.1 | 99.1 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | The protein at a concentration of 10 mg/ml was mixed with 2mM of the ligand (diluted from 100 mM DMSO stock solution) for 1 hour on ice and crystallized at 4 deg C (hanging drop) from: 0.10 M KH2PO4/ 0.10 M NaH2PO4/ 0.10 M MES/NaOH pH 6.00 and 1.90 M NaCl (cryo: 25% glycerol in reservoir), or 18.00 % (w/v) PEG 3350, 0.20 M CaCl2, 0.10 M, MES pH=6.50 (cryo: direct). |