34LU
Trp-5-Hal - Consensus designed artificial tryptophan-5-halogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.95374 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.070, 140.834, 89.195 |
| Unit cell angles | 90.00, 110.14, 90.00 |
Refinement procedure
| Resolution | 71.980 - 2.000 |
| Rwork | 0.174 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.510 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.980 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 135323 | 5323 |
| <I/σ(I)> | 26.1 | |
| Completeness [%] | 97.4 | |
| Redundancy | 6.3 | |
| CC(1/2) | 0.999 | 0.872 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM sodium HEPES pH 7.5, polyethylene glycol 10000 (20% w/v) |
