Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-10 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.97372 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 89.960, 103.860, 156.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.000 - 1.940 |
Rwork | 0.165 |
R-free | 0.20330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yru |
RMSD bond length | 0.011 |
RMSD bond angle | 1.697 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.500 | 86.000 | 1.990 |
High resolution limit [Å] | 1.940 | 8.670 | 1.940 |
Rmerge | 0.106 | 0.033 | 0.780 |
Rmeas | 0.116 | 0.036 | 0.849 |
Number of reflections | 54600 | 684 | 3961 |
<I/σ(I)> | 11.62 | 31.65 | 2.23 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 6.585 | 5.804 | 6.525 |
CC(1/2) | 0.998 | 0.999 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 281 | PEG 4000 25-40%, Na citrate 100 mM, spermidine 10mM |