8SW8
Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-12-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0006 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 62.741, 62.741, 163.548 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.647 - 1.900 |
Rwork | 0.194 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.662 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.647 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 26532 | 1637 |
<I/σ(I)> | 23 | |
Completeness [%] | 99.6 | 98.9 |
Redundancy | 26.3 | |
CC(1/2) | 0.988 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 0.2 M ammonium phosphate monobasic, 0.1 M TRIS pH 8.5, 50% v/v (+/-)-2-methyl-2,4-pentanediol |