3SEI
Crystal Structure of Caskin1 Tandem SAMs
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 |
| Unit cell lengths | 93.114, 93.114, 39.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.000 - 2.400 |
| R-factor | 0.2033 |
| Rwork | 0.201 |
| R-free | 0.24260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qkq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.481 |
| 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] | 90.000 | 90.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.114 | 0.037 | 0.503 |
| Number of reflections | 13750 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 6.4 | 6.1 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.9 | 293 | 1.5 M ammonium sulfate, 75 mM Tris, 25 % glycerol, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
