Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.033 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 139.152, 178.804, 180.697 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.060 - 2.600 |
R-factor | 0.1926 |
Rwork | 0.190 |
R-free | 0.25020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j5t |
RMSD bond length | 0.008 |
RMSD bond angle | 1.186 |
Data reduction software | HKL-2000 (v717.1) |
Data scaling software | HKL-2000 (v717.1) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.060 | 2.693 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.170 | 1.480 |
Rmeas | 0.180 | |
Rpim | 0.073 | 0.655 |
Number of reflections | 68891 | 6443 |
<I/σ(I)> | 6.98 | 1.07 |
Completeness [%] | 99.2 | 93.79 |
Redundancy | 6.4 | |
CC(1/2) | 0.991 | 0.580 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 0.1 Bis Tris pH 6.5, 1.6-2.0 M Ammonium sulfate |