3W62
MamM-CTD E289A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 36.719, 94.912, 53.683 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.460 - 1.640 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.20410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w5x |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.855 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.670 |
| High resolution limit [Å] | 1.640 | 4.450 | 1.640 |
| Rmerge | 0.043 | 0.024 | 0.264 |
| Number of reflections | 11843 | ||
| <I/σ(I)> | 15.5 | ||
| Completeness [%] | 99.5 | 92.7 | 100 |
| Redundancy | 5.9 | 5.2 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 33% PEG 4000, 0.25M AmSO4, pH 8, VAPOR DIFFUSION, SITTING DROP |
