Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2021-04-29 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.388, 57.007, 93.800 |
Unit cell angles | 90.00, 103.72, 90.00 |
Refinement procedure
Resolution | 27.690 - 2.350 |
Rwork | 0.211 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eyg |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.064 | 0.286 |
Number of reflections | 22807 | 2047 |
<I/σ(I)> | 17.22 | 3 |
Completeness [%] | 97.7 | 89.9 |
Redundancy | 3.4 | 2.9 |
CC(1/2) | 0.984 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2M Magnesium acetate tetrahydrate, 20% PEG 3350, pH6.5 |