2DTC
Crystal structure of MS0666
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-20 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.9700, 0.9790, 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.680, 61.077, 43.939 |
Unit cell angles | 90.00, 104.72, 90.00 |
Refinement procedure
Resolution | 34.750 - 1.700 |
R-factor | 0.192 |
Rwork | 0.192 |
R-free | 0.23400 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 24140 | |
<I/σ(I)> | 13.2 | 4.1 |
Completeness [%] | 98.5 | 97.7 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG3350, TRIS, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |