3T5V
Sac3:Thp1:Sem1 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 164.770, 164.770, 276.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.900 |
R-factor | 0.2095 |
Rwork | 0.208 |
R-free | 0.23089 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 0.908 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.164 | |
Number of reflections | 84626 | |
<I/σ(I)> | 7.4 | 1.9 |
Completeness [%] | 99.7 | 100 |
Redundancy | 7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 292 | see publication, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K |