Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2022-07-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 88.224, 88.224, 57.999 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.900 - 1.800 |
R-factor | 0.2049 |
Rwork | 0.203 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xgt |
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 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.069 | 0.505 |
Number of reflections | 21823 | 100 |
<I/σ(I)> | 35.7 | 4.4 |
Completeness [%] | 100.0 | |
Redundancy | 9.4 | |
CC(1/2) | 0.955 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 30% PEG 4000, 100mM HEPES, pH7.5, 200mM CaCl2 |