8SWD
Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-27 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 60.311, 60.311, 164.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.600 - 2.450 |
R-factor | 0.227 |
Rwork | 0.225 |
R-free | 0.26510 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.004 |
RMSD bond angle | 0.538 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | Arcimboldo |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.600 | 2.550 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.149 | 1.480 |
Rmeas | 0.155 | 1.542 |
Rpim | 0.043 | 0.429 |
Total number of observations | 152785 | 16395 |
Number of reflections | 11883 | 1297 |
<I/σ(I)> | 12.6 | 1.7 |
Completeness [%] | 100.0 | |
Redundancy | 12.9 | 12.6 |
CC(1/2) | 1.000 | 0.916 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | JCSG+ G2; 20 mM MgCl2, 0.1M HEPES pH 7.5, 22% (w/v) Poly acrylic acid sodium salt 5100. CajeA.19923.a.LA1.PB00120 at 6.5 mg/mL. Plate: 13148 well G2, drop 3. Puck: PSL-0112, Cryo: 15% PEG 200 + 85% crystallant. Mass spectrometry indicated a truncated fragment of the full-length protein ~7,142 Da-7,161 Da. The electron density best fit residues approximately spanning Thr 133-Lys 166. |