2YGJ
Methanobactin MB4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 9.060, 13.320, 42.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 0.800 |
| R-factor | 0.0864 |
| R-free | 0.10910 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.000 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELXCDE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.220 | 0.840 |
| High resolution limit [Å] | 0.800 | 0.800 |
| Rmerge | 0.060 | 0.450 |
| Number of reflections | 4702 | |
| <I/σ(I)> | 23.1 | 3.2 |
| Completeness [%] | 78.3 | 27.8 |
| Redundancy | 7.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M HEPES PH 7.5, 4.3M NACL. |
