7ZBD
HaloTag with TRaQ-G 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 | 2021-04-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 166.905, 50.460, 79.476 |
Unit cell angles | 90.00, 117.74, 90.00 |
Refinement procedure
Resolution | 47.750 - 1.680 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6u32 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.173 |
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] | 50.000 | 1.790 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmeas | 0.120 | 1.200 |
Number of reflections | 127898 | 20136 |
<I/σ(I)> | 7.24 | 0.98 |
Completeness [%] | 98.4 | 96.2 |
Redundancy | 3 | |
CC(1/2) | 0.990 | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 20% v/v PEG 6000, 10% ethylene glycol, 0.1M magnesium chloride hexahydrate and 0.1M MES |