4W8Y
Structure of full length Cmr2 from Pyrococcus furiosus (Manganese bound form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.400, 167.925, 100.908 |
| Unit cell angles | 90.00, 98.91, 90.00 |
Refinement procedure
| Resolution | 85.723 - 3.000 |
| R-factor | 0.2247 |
| Rwork | 0.223 |
| R-free | 0.25870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.732 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX ((phenix.refine: 1.9_1678)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.720 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 79718 | |
| <I/σ(I)> | 13.2 | 1.7 |
| Completeness [%] | 99.8 | 92.8 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 100 mM bicine/Trizma base pH 8.5, 10% PEG 8000, 20% ethylene glycol, 20 mM 1,6-hexanediol, 20 mM 1-butanol, 20 mM (RS)-1,2-propanediol, 20 mM 2-propanol, 20 mM 1,4-butanediol and 20 mM 1,3-propanediol and 1.5-2 % dextrane |
