Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.850, 130.500, 55.600 |
Unit cell angles | 90.00, 116.25, 90.00 |
Refinement procedure
Resolution | 42.300 - 1.850 |
R-factor | 0.2023 |
Rwork | 0.201 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l9s |
RMSD bond length | 0.006 |
RMSD bond angle | 0.754 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.300 | 1.960 |
High resolution limit [Å] | 1.840 | 1.850 |
Number of reflections | 54015 | 38376 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 98.6 | |
Redundancy | 4.7 | |
CC(1/2) | 0.990 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350 21%, MES 0.1 M pH 6.0, NaCl 150mM |