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 |