6H9Q
MamM CTD D249E - Cadmium 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 | C 2 2 21 |
| Unit cell lengths | 36.698, 94.524, 53.305 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.260 - 1.500 |
| R-factor | 0.1943 |
| Rwork | 0.193 |
| R-free | 0.21406 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w5x |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.826 |
| 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] | 47.260 | 1.520 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.028 | |
| Number of reflections | 15228 | |
| <I/σ(I)> | 22.3 | 1.3 |
| Completeness [%] | 99.6 | 94.1 |
| Redundancy | 4.3 | 4.2 |
| CC(1/2) | 1.000 | 0.615 |
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, 1.7mM CdCl2 |
