8VH7
Crystal structure of heparosan synthase 2 from Pasteurella multocida at 1.98 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-06-14 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.979342 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 93.178, 163.177, 84.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.700 - 1.982 |
R-factor | 0.2089 |
Rwork | 0.208 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.892 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.700 | 2.053 |
High resolution limit [Å] | 1.982 | 1.982 |
Rmerge | 0.160 | 1.023 |
Rmeas | 0.171 | 1.093 |
Rpim | 0.060 | 0.381 |
Number of reflections | 89657 | 8728 |
<I/σ(I)> | 8.36 | 1.88 |
Completeness [%] | 99.6 | 98.48 |
Redundancy | 7.9 | 7.9 |
CC(1/2) | 0.998 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | ML: Morpheus 2-26 0.1M carboxylic Acids, 0.1M Buffer system 1 pH 6.5, 30% Pmix2 EDO_P8K 5mM UDP, 5mM MnCl2, 5mM NS-tetrmer |