4OY6
Structure of ScLPMO10B in complex with copper.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.3 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 67.533, 67.533, 107.214 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.400 - 1.290 |
R-factor | 0.1245 |
Rwork | 0.124 |
R-free | 0.14044 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.425 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.360 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.088 | 0.509 |
Number of reflections | 67598 | |
<I/σ(I)> | 13.9 | 2.1 |
Completeness [%] | 94.2 | 63.2 |
Redundancy | 7.9 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M zinc acetate, 0.1 M sodium cacodylate, 9 % v/v 2-propanol |