3SSQ
CcmK2 - form 1 dodecamer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.362, 83.362, 226.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.200 |
| R-factor | 0.18907 |
| Rwork | 0.187 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a1b |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.401 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 41410 | |
| <I/σ(I)> | 14.2 | 2.5 |
| Completeness [%] | 99.5 | 98.4 |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 30 % PEG 2000 MME, 0.21 M (NH4)2SO4, 0.1 M Na acetate , pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
