6L4J
Monomer structure of monellin loop1 mutant (YEPKG)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 80 |
Detector technology | IMAGE PLATE |
Collection date | 2019-05-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5478 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.830, 64.250, 45.640 |
Unit cell angles | 90.00, 102.87, 90.00 |
Refinement procedure
Resolution | 36.579 - 2.300 |
R-factor | 0.1691 |
Rwork | 0.166 |
R-free | 0.23860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2o9a |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.15.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.580 | 36.580 | 2.380 |
High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
Rmerge | 0.075 | 0.074 | 0.122 |
Rmeas | 0.091 | 0.091 | 0.148 |
Rpim | 0.052 | 0.053 | 0.083 |
Total number of observations | 22730 | 426 | 2308 |
Number of reflections | 7502 | 143 | 769 |
<I/σ(I)> | 11.5 | 16 | 7 |
Completeness [%] | 96.2 | 98.1 | 100 |
Redundancy | 3 | 3 | 3 |
CC(1/2) | 0.981 | 0.971 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M carboxylic acid, 0.1M Imidazole, MES monohydrate |