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 | 2019-05-09 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 158.287, 108.067, 128.483 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.810 - 2.400 |
Rwork | 0.205 |
R-free | 0.22940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tkv |
RMSD bond length | 0.003 |
RMSD bond angle | 1.203 |
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] | 48.810 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.132 | 0.399 |
Rmeas | 0.136 | 1.036 |
Rpim | 0.036 | 0.272 |
Number of reflections | 86531 | 8519 |
<I/σ(I)> | 6.39 | 2.47 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 14.6 | 14.5 |
CC(1/2) | 0.980 | 0.934 |
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. |