7A7S
rsGreenF in the green-on state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-28 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9801 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.333, 61.968, 46.779 |
Unit cell angles | 90.00, 91.71, 90.00 |
Refinement procedure
Resolution | 46.758 - 1.730 |
R-factor | 0.2019 |
Rwork | 0.200 |
R-free | 0.23550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xow |
RMSD bond length | 0.004 |
RMSD bond angle | 0.766 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.11) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.760 | 46.760 | 1.760 |
High resolution limit [Å] | 1.730 | 8.990 | 1.730 |
Rmerge | 0.058 | 0.044 | 0.631 |
Rmeas | 0.063 | 0.049 | 0.685 |
Rpim | 0.024 | 0.021 | 0.263 |
Total number of observations | 147910 | ||
Number of reflections | 22182 | 175 | 1195 |
<I/σ(I)> | 16.3 | ||
Completeness [%] | 99.4 | 99.4 | 99.1 |
Redundancy | 6.7 | 5.9 | 6.7 |
CC(1/2) | 0.998 | 0.996 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM MIB pH 4.0 25 % PEG 1500 |