7C10
Dithiol cGrx1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-03 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.420, 61.105, 93.940 |
Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
Resolution | 37.069 - 2.806 |
R-factor | 0.2248 |
Rwork | 0.219 |
R-free | 0.27540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tr1 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
Rmerge | 0.047 | 0.030 | 0.126 |
Rmeas | 0.051 | 0.033 | 0.142 |
Rpim | 0.020 | 0.013 | 0.064 |
Total number of observations | 71066 | ||
Number of reflections | 12448 | 605 | 580 |
<I/σ(I)> | 33.7 | ||
Completeness [%] | 98.1 | 90.2 | 95.1 |
Redundancy | 5.7 | 6.3 | 4.2 |
CC(1/2) | 0.999 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M sodium phosphate/citric acid pH4.2, 0.2M Lithium sulfate, 20% PEG 1000 |