5Y2Y
Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-14 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.393, 72.355, 174.942 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.730 - 2.270 |
R-factor | 0.161 |
Rwork | 0.158 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kaf |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.10.1-2155) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.310 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.056 | 0.073 |
Number of reflections | 26399 | |
<I/σ(I)> | 56.1 | 38.6 |
Completeness [%] | 98.4 | 88 |
Redundancy | 10.4 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.8M ammonium sulfate, 0.1M citric acid pH5.5. |