5MNS
Structural and functional characterization of OleP in complex with 6DEB in sodium formate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-27 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.918409 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 247.600, 110.800, 159.100 |
Unit cell angles | 90.00, 129.60, 90.00 |
Refinement procedure
Resolution | 120.000 - 2.620 |
R-factor | 0.211 |
Rwork | 0.208 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xe3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.379 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 120.000 | 2.780 |
High resolution limit [Å] | 2.620 | 2.620 |
Rmerge | 0.100 | 0.800 |
Number of reflections | 98805 | |
<I/σ(I)> | 13.63 | |
Completeness [%] | 99.5 | 97 |
Redundancy | 6.09 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 4M HCOONa |