5Y2X
Crystal structure of apo-HaloTag (M175C)
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 43 21 2 |
Unit cell lengths | 62.642, 62.642, 164.192 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.440 - 2.020 |
Rwork | 0.163 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kaf |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.020 | |
Rmerge | 0.094 | 0.334 |
Number of reflections | 22255 | |
<I/σ(I)> | 26.4 | |
Completeness [%] | 99.5 | |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG 20K, 0.1M Tris pH 8.2, 200mM MgCl2, 5% butanol. |