7PCX
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE 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 | 2021-06-26 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.960, 149.150, 79.920 |
| Unit cell angles | 90.00, 117.97, 90.00 |
Refinement procedure
| Resolution | 39.860 - 1.400 |
| R-factor | 0.1766 |
| Rwork | 0.175 |
| R-free | 0.19820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6y7a |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.031 | 0.206 |
| Number of reflections | 300540 | 56041 |
| <I/σ(I)> | 22.96 | 6.09 |
| Completeness [%] | 98.9 | 98.9 |
| Redundancy | 3.42 | 3.31 |
| CC(1/2) | 0.999 | 0.957 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES pH 6.0, 1.0 M lithium chloride, 21% (m/v) PEG 6000 |
