5D6M
Mn(II)-loaded MnCcP.1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2011-10-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.431, 52.581, 136.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.651 - 1.653 |
| R-factor | 0.1749 |
| Rwork | 0.174 |
| R-free | 0.19720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cyp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.074 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.651 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.092 | |
| Number of reflections | 39151 | |
| <I/σ(I)> | 24.2 | 5.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M Sodium iodide, 20% w/v Polyethylene glycol 3,350 |
