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 |