8UZ8
Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment, Orthorhombic P form)
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 | 2023-10-09 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 46.959, 139.933, 21.196 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.520 - 2.450 |
R-factor | 0.2152 |
Rwork | 0.213 |
R-free | 0.24730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.752 |
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] | 46.960 | 2.510 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.090 | 0.779 |
Rmeas | 0.098 | 0.851 |
Rpim | 0.040 | 0.337 |
Total number of observations | 34581 | 2472 |
Number of reflections | 5660 | 394 |
<I/σ(I)> | 11.8 | 2.5 |
Completeness [%] | 99.9 | |
Redundancy | 6.1 | 6.3 |
CC(1/2) | 0.998 | 0.892 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Morpheus Fusion A2: 20% v/v Ethylene glycol; 10 % w/v PEG 8000, 0.04M Imidazole; 0.06M MES monohydrate (acid), pH 6.5, 0.02M 1,6-Hexanediol; 0.02M 1-Butanol, 0.02M 1,2-Propanediol; 0.02M 2-Propanol; 0.02M 1,4-Butanediol; 0.02M 1,3-Propanediol, 5 mM MnCl2, 5 mM CoCl2 , 5 mM NiCl2, 5 mM Zn(OAc)2 . CajeA.19923.a.LA1.PB00122 at 27 mg/mL. Plate: 13443 well A2, drop 1. Puck: PSL-1703, Cryo: Direct. 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 Ser 106-Lys 165. |