8V2K
Proteus vulgaris tryptophan indole-lyase complexed with L-alanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-09-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979493 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.889, 113.073, 120.332 |
Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
Resolution | 119.060 - 1.810 |
R-factor | 0.1885 |
Rwork | 0.186 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.586 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 119.060 | 1.875 |
High resolution limit [Å] | 1.810 | 1.810 |
Number of reflections | 114075 | 5704 |
<I/σ(I)> | 5 | |
Completeness [%] | 93.6 | |
Redundancy | 3.5 | |
CC(1/2) | 0.991 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 295 | 0.1 M potassium phosphate, pH 8.0, 0.1 mM pyrodoxal-5'-phosphate, 1 mM DTT, 0.2 M CsCl, 22% PEG 4000 |