9NSS
Bacterial Pictet-Spenglerase KslB in complex with L-Trp alternative binding mode
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2024-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 32 |
| Unit cell lengths | 95.203, 95.203, 193.493 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.600 - 2.680 |
| R-factor | 0.2098 |
| Rwork | 0.203 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.392 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.600 | 2.750 |
| High resolution limit [Å] | 2.670 | 2.680 |
| Number of reflections | 54515 | 3293 |
| <I/σ(I)> | 5 | |
| Completeness [%] | 98.8 | |
| Redundancy | 5 | |
| CC(1/2) | 0.981 | 0.571 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | PEG 3350, Sodium chloride, Bis-Tris |
