6Y7B
X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-carbopyronine fluorophore substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-29 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.00006 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 161.270, 161.270, 124.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.310 - 3.100 |
R-factor | 0.21 |
Rwork | 0.207 |
R-free | 0.25940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D_1292106996 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.787 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.200 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.196 | 0.596 |
Number of reflections | 34294 | 3081 |
<I/σ(I)> | 8.53 | 3.1 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.75 | 6.99 |
CC(1/2) | 0.988 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bicine pH 9.0, 1.7 M ammonium sulfate |