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 |