5W17
Crystal structure of Campylobacter jejuni YCEI protein that crystallizes with large solvent channels for nanotechnology applications
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2017-04-04 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 178.808, 178.808, 50.344 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.070 - 2.580 |
R-factor | 0.2228 |
Rwork | 0.221 |
R-free | 0.25370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fgs |
RMSD bond length | 0.013 |
RMSD bond angle | 1.856 |
Data reduction software | XDS (20161101) |
Data scaling software | SCALA (3.3.22) |
Phasing software | REFMAC (5.8.0158) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.167 | 38.167 | 2.720 |
High resolution limit [Å] | 2.580 | 8.160 | 2.580 |
Rmerge | 0.069 | 3.018 | |
Rmeas | 0.230 | 0.071 | 3.097 |
Rpim | 0.051 | 0.017 | 0.690 |
Number of reflections | 15452 | ||
<I/σ(I)> | 10.2 | 7.2 | 0.2 |
Completeness [%] | 99.9 | 99 | 99.6 |
Redundancy | 20.3 | 17.9 | 19.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 3.2 M Ammonium Sulfate, 0.1 M Bis-Tris |