6G9E
Crystal structure of immunomodulatory active chitinase from Trichuris suis - TsES1 - 6 molecules in ASU
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 220.063, 172.618, 138.564 |
Unit cell angles | 90.00, 128.41, 90.00 |
Refinement procedure
Resolution | 45.610 - 2.690 |
R-factor | 0.193 |
Rwork | 0.193 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hbf |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.610 | 45.610 | 2.740 |
High resolution limit [Å] | 2.690 | 14.750 | 2.690 |
Rmerge | 0.267 | 0.066 | 1.303 |
Rmeas | 0.310 | 0.079 | 1.517 |
Rpim | 0.155 | 0.041 | 0.767 |
Number of reflections | 110673 | 686 | 4952 |
<I/σ(I)> | 4.2 | ||
Completeness [%] | 99.0 | 95.6 | 89.5 |
Redundancy | 3.9 | 3.4 | 3.7 |
CC(1/2) | 0.967 | 0.991 | 0.488 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 100mM Tris, 200mM Magnesium chloride hexahydrate, 10% PEG 8000 |