7ZBB
HaloTag with TRaQ-G-ctrl ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 |
| Unit cell lengths | 94.010, 94.010, 132.562 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.300 - 1.950 |
| R-factor | 0.1833 |
| Rwork | 0.182 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6u32 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.004 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.300 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.200 | 1.100 |
| Number of reflections | 94488 | 7735 |
| <I/σ(I)> | 6.42 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.990 | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 280 | 20% v/v PEG 6000, 0.1 M lithium chloride, 0.1 M sodium citrate |
