7LJO
Structure of the Bacteroides fragilis CD-NTase CdnB in complex with ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-12-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.373, 69.610, 92.396 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.860 - 1.760 |
R-factor | 0.179 |
Rwork | 0.178 |
R-free | 0.19480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house model of the selenomethionine substituted protein determined using SAD phasing |
RMSD bond length | 0.003 |
RMSD bond angle | 0.787 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | AutoSol |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.860 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Rpim | 0.041 | 0.836 |
Number of reflections | 41249 | 2272 |
<I/σ(I)> | 10.6 | 1.2 |
Completeness [%] | 99.9 | |
Redundancy | 6.6 | |
CC(1/2) | 0.364 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291.15 | 10 mM TCEP-HCl, not adjusted for pH, 22% PEG-3350 |