6H9P
MamM CTD E289D - Manganese form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976247 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 78.261, 78.261, 175.495 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.280 - 2.100 |
| R-factor | 0.21534 |
| Rwork | 0.214 |
| R-free | 0.23924 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w5x |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.904 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.280 | 2.150 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.081 | |
| Number of reflections | 19491 | |
| <I/σ(I)> | 18.5 | 1.2 |
| Completeness [%] | 99.0 | 87.6 |
| Redundancy | 17.6 | 13.8 |
| CC(1/2) | 1.000 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M LiSO4, 0.1M BIS-TRIS pH=5.5, 25% PEG 3350, 1.7 mM MnCl2 |
