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 |