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) | 0.978 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 164.707, 103.907, 131.835 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.000 - 2.030 |
Rwork | 0.192 |
R-free | 0.21440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tkv |
RMSD bond length | 0.002 |
RMSD bond angle | 1.158 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 2.100 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.166 | 0.851 |
Rmeas | 0.172 | 0.887 |
Rpim | 0.045 | 0.248 |
Number of reflections | 142127 | 10569 |
<I/σ(I)> | 4.83 | 1.15 |
Completeness [%] | 97.3 | 73.4 |
Redundancy | 14 | 12.1 |
CC(1/2) | 0.970 | 0.892 |
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. |