Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-12-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.6532 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 158.982, 108.456, 128.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.126 - 2.080 |
Rwork | 0.203 |
R-free | 0.22150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tkv |
RMSD bond length | 0.002 |
RMSD bond angle | 1.178 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.126 | 2.150 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.135 | 1.862 |
Rmeas | 0.141 | 1.944 |
Rpim | 0.040 | 0.556 |
Number of reflections | 133846 | 13223 |
<I/σ(I)> | 12.4 | 0.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.5 | 12 |
CC(1/2) | 0.994 | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1 M TRIS-Cl pH 8.0 (room temperature), 5 mM magnesium chloride, 1.15 - 1.4 M ammonium sulfate, 15 mg/mL CTPS. |