9BNJ
Proteus vulgaris tryptophan indole-lyase aminoacrylate complex with benzimidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-04-03 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 113.945, 118.225, 152.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.270 - 1.510 |
R-factor | 0.1588 |
Rwork | 0.158 |
R-free | 0.18050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.789 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 91.270 | 1.530 |
High resolution limit [Å] | 1.510 | 1.510 |
Number of reflections | 319496 | 20571 |
<I/σ(I)> | 7.2 | |
Completeness [%] | 99.4 | |
Redundancy | 5.4 | |
CC(1/2) | 0.998 | 0.327 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M potassium phosphate, pH 8.0, 1 mM DTT, 0.1 mM PLP, 0.2 M KCl, 22% PEG 4000 |