5LWQ
CeuE (H227L variant) a periplasmic protein from Campylobacter jejuni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 |
Unit cell lengths | 56.921, 62.560, 67.789 |
Unit cell angles | 82.21, 76.99, 76.18 |
Refinement procedure
Resolution | 65.520 - 1.520 |
R-factor | 0.18654 |
Rwork | 0.185 |
R-free | 0.22129 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zkw |
RMSD bond length | 0.024 |
RMSD bond angle | 2.338 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.520 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.060 | 0.486 |
Number of reflections | 129426 | |
<I/σ(I)> | 9.5 | 2.3 |
Completeness [%] | 95.4 | 94.6 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.996 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2M NaBr; 0.1M BTP, pH 8.5; 20% Peg 3350 |