1IS6
MES-Liganded Congerin II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 2000-12-25 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 61.400, 61.400, 80.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.700 |
R-factor | 0.188 |
Rwork | 0.187 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Congerin II Lactose and Mes complex |
RMSD bond length | 0.015 |
RMSD bond angle | 26.600 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.047 | 0.194 |
Number of reflections | 17071 | 1414 * |
<I/σ(I)> | 30.38 | 4.9 |
Completeness [%] | 96.4 | 82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 18 * | magnesium sulfate, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | 0.8 (M) | ||
2 | 1 | drop | protein | 1 (%(w/v)) | |
3 | 1 | drop | MES | 0.5 (M) | pH6.5 |
4 | 1 | reservoir | 1.6 (M) | ||
5 | 1 | reservoir | MES | 1.0 (M) | pH6.5 |