3Q2P
Reduced sweetness of a monellin (MNEI) mutant results from increased protein flexibility and disruption of a distant poly-(L-proline) II helix
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-04-10 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.400, 144.100, 45.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.400 - 2.341 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.037 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP ((CCP4)) |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.490 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.104 | 0.531 |
| Number of reflections | 16708 | |
| <I/σ(I)> | 16 | 3.8 |
| Completeness [%] | 98.4 | 90.8 |
| Redundancy | 7.3 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293.15 | 200 mM NaCl, 100 mM phosphate-citrate, 20% w/v PEG8000, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
