7W9A
Dynamics of lipid displacement inside the hydrophobic cavity of a non-specific lipid transfer protein from Solanum melongena
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-05-26 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | I 41 |
Unit cell lengths | 39.245, 39.245, 94.716 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.260 - 2.120 |
R-factor | 0.1986 |
Rwork | 0.196 |
R-free | 0.23880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6iwm |
RMSD bond length | 0.003 |
RMSD bond angle | 0.599 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.102 | 0.682 |
Rpim | 0.030 | 0.245 |
Number of reflections | 4080 | 405 |
<I/σ(I)> | 28.925 | 2.14 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 11.2 | 8.4 |
CC(1/2) | 0.997 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295.15 | 0.1M HEPES at pH 7.5 and 1.5M Ammonium sulfate |