2QMS
Crystal structure of a signaling molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-01-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.649, 63.904, 105.685 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.486 |
| Data reduction software | DENZO |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.700 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.084 | 0.505 |
| Number of reflections | 25401 | |
| <I/σ(I)> | 12.6 | 2.2 |
| Completeness [%] | 99.1 | 99.4 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 295 | 0.1M sodium citrate pH6.1, 22.5% PEG 4000, 0.2M Ammonium sulphate, 5 % glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
