Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 233 |
Detector technology | CCD |
Collection date | 2018-06-19 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9793 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.762, 82.426, 104.839 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.124 - 1.781 |
R-factor | 0.2086 |
Rwork | 0.208 |
R-free | 0.22370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7wx6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.177 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.124 | 1.810 |
High resolution limit [Å] | 1.781 | 1.781 |
Number of reflections | 29485 | 29485 |
<I/σ(I)> | 8.7 | |
Completeness [%] | 99.9 | |
Redundancy | 11.9 | |
CC(1/2) | 0.927 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG3350,BIS-TRIS5.5 |