3SEN
Structure of Caskin1 Tandem SAMs
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.226, 94.597, 118.633 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.960 - 3.100 |
| R-factor | 0.242 |
| Rwork | 0.240 |
| R-free | 0.28150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sei |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.907 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.680 | 3.100 |
| Rmerge | 0.085 | 0.043 | 0.590 |
| Number of reflections | 19376 | ||
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 9.9 | 9.2 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 100 mM Na/K phosphate, 1-10% PEG 2K, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
