5ZQI
Alginate lyase AlgAT5 from Polysaccharide Lyase family 7
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 | 2017-04-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.020, 76.380, 83.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.228 - 1.500 |
R-factor | 0.1682 |
Rwork | 0.167 |
R-free | 0.18780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uai |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.15) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13-2998_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.950 | 41.950 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.181 | 0.270 | 0.316 |
Rmeas | 0.201 | 0.305 | 0.350 |
Rpim | 0.085 | 0.139 | 0.149 |
Number of reflections | 40624 | 87 | 2016 |
<I/σ(I)> | 6.7 | ||
Completeness [%] | 97.0 | 23.9 | 98.6 |
Redundancy | 5.7 | 3.4 | 5.5 |
CC(1/2) | 0.968 | 0.807 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 291 | 0.2M potassium nitrate, 20% PEG3350, pH6.8 |