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 |
