7C8F
Structure of alginate lyase AlyC3 in complex with dimannuronate(2M)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 80.865, 106.413, 79.293 |
Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
Resolution | 30.353 - 1.461 |
R-factor | 0.1564 |
Rwork | 0.156 |
R-free | 0.17240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c8g |
RMSD bond length | 0.006 |
RMSD bond angle | 0.967 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.490 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmerge | 0.035 | 0.291 |
Number of reflections | 113418 | 5754 |
<I/σ(I)> | 40.77 | |
Completeness [%] | 98.2 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris propane (pH 7.5), 0.2 M sodium malonate, and 19% PEG 3350 |