5DZQ
C3larvin toxin, an ADP-ribosyltransferase from Paenibacillus larvae, Orthorhombic Form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-01 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.073, 76.002, 89.367 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.607 - 1.892 |
R-factor | 0.1948 |
Rwork | 0.193 |
R-free | 0.23020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tr5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.022 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.610 | 1.960 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.045 | |
Number of reflections | 33554 | |
<I/σ(I)> | 25.22 | |
Completeness [%] | 98.9 | 89.64 |
Redundancy | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297.15 | 0.2 M magnesium chloride hexahydrate, 0.1 M Tris-HCl, 30% w/v PEG4000 |