8PED
Crystal structure of Paradendryphiella salina PL7C alginate lyase soaked with trimannuronic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.060, 59.770, 89.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.050 - 1.100 |
R-factor | 0.1295 |
Rwork | 0.129 |
R-free | 0.14590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.966 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.670 | 1.160 |
High resolution limit [Å] | 1.100 | 1.100 |
Number of reflections | 92285 | 14629 |
<I/σ(I)> | 17.22 | |
Completeness [%] | 99.8 | |
Redundancy | 12.21 | |
CC(1/2) | 1.000 | 0.540 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 30% PEG3350, 0.1M Bis-Tris pH 5.5, 0.3M NaCl |