2XJH
Structure and Copper-binding Properties of Methanobactins from Methylosinus trichosporium OB3b
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-01 |
Detector | ADSC CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 29.475, 29.475, 29.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 0.920 |
R-factor | 0.1245 |
R-free | 0.14050 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.020 |
RMSD bond angle | 0.051 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | SHELXDE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.840 | 0.970 |
High resolution limit [Å] | 0.920 | 0.920 |
Rmerge | 0.060 | 0.340 |
Number of reflections | 9025 | |
<I/σ(I)> | 25.1 | 5.5 |
Completeness [%] | 95.7 | 78.8 |
Redundancy | 11.3 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 4M SODIUM FORMATE, pH 7.5 |