5MXF
Photorhabdus asymbiotica lectin (PHL) in complex with alpha-methyl fucoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 81.249, 81.249, 113.231 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.110 - 1.900 |
R-factor | 0.16871 |
Rwork | 0.167 |
R-free | 0.19573 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mxe |
RMSD bond length | 0.009 |
RMSD bond angle | 1.306 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.110 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.076 | 0.457 |
Number of reflections | 34705 | 4975 |
<I/σ(I)> | 22.4 | 5.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.7 | 11 |
CC(1/2) | 0.999 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 3.7-4.3 M NaCl, 100 mM Hepes pH 7.5 |