2XJI
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 | I 2 2 2 |
Unit cell lengths | 31.710, 39.570, 85.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.000 |
R-factor | 0.1137 |
R-free | 0.12910 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.026 |
RMSD bond angle | 0.062 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.140 | 1.050 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.090 | 0.360 |
Number of reflections | 29329 | |
<I/σ(I)> | 13.5 | 13.5 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.8 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 2M AMMONIUM SULFATE, 5% ISOPROPANOL, pH 7.5 |