9I4F
Blood Type B-converting alpha-1,3-galactosidase PpaGal from Pedobacter panaciterrae in its apo form
This is a non-PDB format compatible entry.
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 | 2024-11-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 107.130, 129.026, 108.296 |
Unit cell angles | 90.00, 90.18, 90.00 |
Refinement procedure
Resolution | 107.130 - 2.750 |
Rwork | 0.251 |
R-free | 0.28540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.960 |
Data reduction software | XDS (BUILT 20230630) |
Data scaling software | XDS (BUILT 20230630) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 107.130 | 107.130 | 2.797 |
High resolution limit [Å] | 2.750 | 7.462 | 2.750 |
Rmeas | 0.192 | 0.060 | 0.785 |
Rpim | 0.094 | 0.030 | 0.407 |
Number of reflections | 73785 | 3902 | 3796 |
<I/σ(I)> | 6 | 13.4 | 2 |
Completeness [%] | 96.3 | 98.9 | 100 |
Redundancy | 4 | 3.9 | 3.6 |
CC(1/2) | 0.994 | 0.998 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 293 | 0.2 M lithium citrate, 20% PEG 3350 |