1KRL
Crystal Structure of Racemic DL-monellin in P-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 1994-10-10 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P -1 |
Unit cell lengths | 38.710, 49.070, 53.120 |
Unit cell angles | 90.55, 94.33, 90.31 |
Refinement procedure
Resolution | 6.000 - 1.900 |
R-factor | 0.255 * |
Rwork | 0.249 |
R-free | 0.29800 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Single Chain Monellin |
RMSD bond length | 0.009 * |
RMSD bond angle | 1.760 * |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.046 | 0.289 |
Number of reflections | 31489 * | |
<I/σ(I)> | 2.3 | |
Completeness [%] | 87.2 | 41.8 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.2 | 277 | Phosphate buffer, PEG8000, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 4K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | synthetic L-monellin | 2 (mg/ml) | |
2 | 1 | drop | synthetic D-monellin | 2 (mg/ml) | |
3 | 1 | drop | sodium phosphate | 10 (mM) | pH7.2 |
4 | 1 | drop | PEG8000 | 14 (%(w/v)) | |
5 | 1 | reservoir | sodium phosphate | 10 (mM) | pH7.2 |
6 | 1 | reservoir | PEG8000 | 28 (%(w/v)) |