5MBQ
CeuE (H227A 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] | 110 |
Detector technology | PIXEL |
Collection date | 2016-04-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 |
Unit cell lengths | 56.988, 62.682, 67.969 |
Unit cell angles | 82.11, 77.21, 76.28 |
Refinement procedure
Resolution | 66.020 - 1.330 |
R-factor | 0.15013 |
Rwork | 0.148 |
R-free | 0.19313 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zkw |
RMSD bond length | 0.033 |
RMSD bond angle | 2.736 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.020 | 1.350 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmerge | 0.004 | 0.729 |
Number of reflections | 192548 | |
<I/σ(I)> | 11.8 | 1.4 |
Completeness [%] | 65.9 | 41 |
Redundancy | 3.3 | 3 |
CC(1/2) | 0.998 | 0.604 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | 0.1M MMT buffer, 25% Peg 1500. |