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 | PIXEL |
Collection date | 2018-05-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 74.650, 48.790, 112.660 |
Unit cell angles | 90.00, 103.60, 90.00 |
Refinement procedure
Resolution | 40.487 - 1.500 |
Rwork | 0.201 |
R-free | 0.23680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7m1a |
RMSD bond length | 0.017 |
RMSD bond angle | 1.920 |
Data reduction software | autoPROC |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.500 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.048 | 0.441 |
Rpim | 0.021 | 0.193 |
Number of reflections | 63258 | 9179 |
<I/σ(I)> | 18.3 | 3.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.1 | 6.1 |
CC(1/2) | 0.990 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 24% w/v PEG4000, 8.0% v/v ethylene glycol, 0.4 M magnesium chloride, 100 mM Tris:HCl, pH 8.5 |