9M0Q
The Structural Complex of Inactivated Lactobacillus delbrueckii Cystathionine beta-Lyase Mutant (LdPatB A34D) with Its Substrate L-(+)-Alliin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2024-04-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97907 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.831, 91.682, 80.871 |
| Unit cell angles | 90.00, 125.06, 90.00 |
Refinement procedure
| Resolution | 45.770 - 2.180 |
| Rwork | 0.251 |
| R-free | 0.30320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (v1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.780 | 2.300 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rpim | 0.103 | 0.942 |
| Number of reflections | 34610 | 4969 |
| <I/σ(I)> | 3.6 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.2 M Magnesium formate dihydrate (15-25 % w/v) Polyethylene glycol 3350 |
