9N0J
Crystal structure of KABLE double mutant (Lys14Pro, Leu20Trp) in complex with 6-nitrobenzotriazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 44.601, 44.601, 128.033 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.120 - 1.540 |
| R-factor | 0.2442 |
| Rwork | 0.242 |
| R-free | 0.27790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.208 |
| Data reduction software | XDS (Jun 30, 2023) |
| Data scaling software | XDS (Jun 30, 2023) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.600 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.060 | 1.229 |
| Rmeas | 0.062 | 1.289 |
| Rpim | 0.018 | 0.382 |
| Total number of observations | 236844 | 9984 |
| Number of reflections | 20037 | 912 |
| <I/σ(I)> | 22.2 | 1.3 |
| Completeness [%] | 99.8 | |
| Redundancy | 11.8 | 10.9 |
| CC(1/2) | 1.000 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 0.2 M zinc acetate, 0.1 M sodium cacodylate pH 6.5, 18% PEG 8000 |
