9RBN
Structure of an ancestral bifunctional dehalogenase-luciferase enzyme Anc238Loc, space group C121
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 | 2021-09-02 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.501, 81.773, 91.726 |
| Unit cell angles | 90.00, 99.57, 90.00 |
Refinement procedure
| Resolution | 45.224 - 1.598 |
| R-factor | 0.1606 |
| Rwork | 0.159 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.430 | 1.630 |
| High resolution limit [Å] | 1.598 | 1.600 |
| Rmerge | 0.063 | 1.114 |
| Rmeas | 0.068 | 1.210 |
| Rpim | 0.026 | 0.468 |
| Total number of observations | 24552 | |
| Number of reflections | 79229 | 3819 |
| <I/σ(I)> | 16.3 | 1.7 |
| Completeness [%] | 98.6 | |
| Redundancy | 6.8 | 6.4 |
| CC(1/2) | 0.999 | 0.709 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | HEPES, MOPS, PEG 500MME, PEG 20000, amino acids |
