9NIT
Crystal structure of Vibrio cholerae CqsR bound to L-alaninol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU PhotonJet-S |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2025-01-23 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.540562 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 121.024, 121.024, 70.545 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.690 - 1.720 |
R-factor | 0.1836 |
Rwork | 0.180 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.807 |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | PHASER |
Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.690 | 19.690 | 1.780 |
High resolution limit [Å] | 1.720 | 3.790 | 1.720 |
Rpim | 0.028 | 0.010 | 0.334 |
Number of reflections | 26788 | 2762 | 2139 |
<I/σ(I)> | 7.26 | 70.45 | 1.21 |
Completeness [%] | 95.5 | 98.5 | 76.1 |
Redundancy | 8.7 | 8.8 | 3.4 |
CC(1/2) | 0.999 | 1.000 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 1.8 M lithium chloride, 0.1 M bicine pH 9.0, 10% PEG 6000 |