7D75
X-ray structure of a domain-swapped dimer of Monellin with YEDKG loop-1 mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU R-AXIS IV |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-03-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 45.794, 55.783, 105.831 |
Unit cell angles | 90.00, 93.63, 90.00 |
Refinement procedure
Resolution | 42.950 - 2.500 |
R-factor | 0.264 |
Rwork | 0.262 |
R-free | 0.30440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6l4j |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.700 | 45.700 | 2.600 |
High resolution limit [Å] | 2.500 | 9.020 | 2.500 |
Rmerge | 0.102 | 0.063 | 0.607 |
Rmeas | 0.112 | 0.069 | 0.667 |
Rpim | 0.047 | 0.028 | 0.273 |
Total number of observations | 105391 | 2187 | 11155 |
Number of reflections | 18428 | 416 | 1958 |
<I/σ(I)> | 7.7 | 13.6 | 2.4 |
Completeness [%] | 98.9 | 98.1 | 94 |
Redundancy | 5.7 | 5.3 | 5.7 |
CC(1/2) | 0.997 | 0.997 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.6M Mg sulfate heptahydrate, 0.1M MES 6.5 |