4AAM
MacA wild-type mixed-valence
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.130, 47.540, 77.850 |
| Unit cell angles | 90.00, 91.49, 90.00 |
Refinement procedure
| Resolution | 77.820 - 2.170 |
| R-factor | 0.16621 |
| Rwork | 0.162 |
| R-free | 0.23937 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hq6 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.804 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0113) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.100 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.120 | 0.230 |
| Number of reflections | 18659 | |
| <I/σ(I)> | 6.4 | 4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M NAHEPES PH 7.5, 0.2 M AMMONIUM ACETATE, 25% POLYETHYLENE GLYCOL 3350 |
