7W12
Complex structure of alginate lyase AlyB-OU02 with G9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 3 1 2 |
| Unit cell lengths | 156.627, 156.627, 60.784 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| R-factor | 0.1961 |
| Rwork | 0.194 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zu5 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.847 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 40570 | 2005 |
| <I/σ(I)> | 45 | |
| Completeness [%] | 100.0 | |
| Redundancy | 14.6 | |
| CC(1/2) | 0.998 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288.15 | Li2SO4, Tris-HCl pH 8.0, PEG 4000 |
