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 |
